Program PWSCF v.5.1.1 starts on 21Oct2015 at 8: 8:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Ag2HgI4.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 138 72 19 5073 1884 275 Max 139 73 20 5076 1911 279 Sum 6663 3461 953 243597 91119 13297 bravais-lattice index = 14 lattice parameter (alat) = 14.5997 a.u. unit-cell volume = 1698.4502 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.599712 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.665480 celldm(5)= -0.665480 celldm(6)= 0.330959 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.330959 0.943645 0.000000 ) a(3) = ( -0.665480 -0.471823 0.578377 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.350724 0.864488 ) b(2) = ( 0.000000 1.059721 0.864488 ) b(3) = ( 0.000000 0.000000 1.728975 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 3 for Ag read from file: /home/autes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) Ag 11.00 107.86820 Ag( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 246 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 0.0000000 0.0240135), wk = 0.0040650 k( 3) = ( 0.0000000 0.0000000 0.0480271), wk = 0.0040650 k( 4) = ( 0.0000000 0.0000000 0.0720406), wk = 0.0040650 k( 5) = ( 0.0000000 0.0000000 0.0960542), wk = 0.0040650 k( 6) = ( 0.0000000 0.0000000 0.1200677), wk = 0.0040650 k( 7) = ( 0.0000000 0.0000000 0.1440813), wk = 0.0040650 k( 8) = ( 0.0000000 0.0000000 0.1680948), wk = 0.0040650 k( 9) = ( 0.0000000 0.0000000 0.1921083), wk = 0.0040650 k( 10) = ( 0.0000000 0.0000000 0.2161219), wk = 0.0040650 k( 11) = ( 0.0000000 0.0000000 0.2401354), wk = 0.0040650 k( 12) = ( 0.0000000 0.0000000 0.2641490), wk = 0.0040650 k( 13) = ( 0.0000000 0.0000000 0.2881625), wk = 0.0040650 k( 14) = ( 0.0000000 0.0000000 0.3121761), wk = 0.0040650 k( 15) = ( 0.0000000 0.0000000 0.3361896), wk = 0.0040650 k( 16) = ( 0.0000000 0.0000000 0.3602031), wk = 0.0040650 k( 17) = ( 0.0000000 0.0000000 0.3842167), wk = 0.0040650 k( 18) = ( 0.0000000 0.0000000 0.4082302), wk = 0.0040650 k( 19) = ( 0.0000000 0.0000000 0.4322438), wk = 0.0040650 k( 20) = ( 0.0000000 0.0000000 0.4562573), wk = 0.0040650 k( 21) = ( 0.0000000 0.0000000 0.4802709), wk = 0.0040650 k( 22) = ( 0.0000000 0.0000000 0.5042844), wk = 0.0040650 k( 23) = ( 0.0000000 0.0000000 0.5282980), wk = 0.0040650 k( 24) = ( 0.0000000 0.0000000 0.5523115), wk = 0.0040650 k( 25) = ( 0.0000000 0.0000000 0.5763250), wk = 0.0040650 k( 26) = ( 0.0000000 0.0000000 0.6003386), wk = 0.0040650 k( 27) = ( 0.0000000 0.0000000 0.6243521), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.6483657), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.6723792), wk = 0.0040650 k( 30) = ( 0.0000000 0.0000000 0.6963927), wk = 0.0040650 k( 31) = ( 0.0000000 0.0000000 0.7204063), wk = 0.0040650 k( 32) = ( 0.0000000 0.0000000 0.7444198), wk = 0.0040650 k( 33) = ( 0.0000000 0.0000000 0.7684334), wk = 0.0040650 k( 34) = ( 0.0000000 0.0000000 0.7924469), wk = 0.0040650 k( 35) = ( 0.0000000 0.0000000 0.8164605), wk = 0.0040650 k( 36) = ( 0.0000000 0.0000000 0.8404740), wk = 0.0040650 k( 37) = ( 0.0000000 0.0000000 0.8644875), wk = 0.0040650 k( 38) = ( 0.0000000 0.0000000 0.8644875), wk = 0.0040650 k( 39) = ( -0.0139632 0.0196943 0.8644875), wk = 0.0040650 k( 40) = ( -0.0279264 0.0393887 0.8644875), wk = 0.0040650 k( 41) = ( -0.0418896 0.0590830 0.8644875), wk = 0.0040650 k( 42) = ( -0.0558528 0.0787774 0.8644875), wk = 0.0040650 k( 43) = ( -0.0698161 0.0984717 0.8644875), wk = 0.0040650 k( 44) = ( -0.0837792 0.1181660 0.8644875), wk = 0.0040650 k( 45) = ( -0.0977425 0.1378604 0.8644875), wk = 0.0040650 k( 46) = ( -0.1117057 0.1575547 0.8644875), wk = 0.0040650 k( 47) = ( -0.1256689 0.1772490 0.8644875), wk = 0.0040650 k( 48) = ( -0.1256689 0.1772490 0.8644875), wk = 0.0040650 k( 49) = ( -0.1355197 0.1911431 0.8474557), wk = 0.0040650 k( 50) = ( -0.1453705 0.2050371 0.8304239), wk = 0.0040650 k( 51) = ( -0.1552213 0.2189311 0.8133921), wk = 0.0040650 k( 52) = ( -0.1650722 0.2328252 0.7963603), wk = 0.0040650 k( 53) = ( -0.1749230 0.2467192 0.7793285), wk = 0.0040650 k( 54) = ( -0.1847738 0.2606133 0.7622966), wk = 0.0040650 k( 55) = ( -0.1946246 0.2745073 0.7452648), wk = 0.0040650 k( 56) = ( -0.2044754 0.2884013 0.7282330), wk = 0.0040650 k( 57) = ( -0.2143262 0.3022954 0.7112012), wk = 0.0040650 k( 58) = ( -0.2241771 0.3161894 0.6941693), wk = 0.0040650 k( 59) = ( -0.2340279 0.3300834 0.6771375), wk = 0.0040650 k( 60) = ( -0.2438787 0.3439775 0.6601057), wk = 0.0040650 k( 61) = ( -0.2537295 0.3578715 0.6430739), wk = 0.0040650 k( 62) = ( -0.2635804 0.3717656 0.6260421), wk = 0.0040650 k( 63) = ( -0.2734312 0.3856596 0.6090102), wk = 0.0040650 k( 64) = ( -0.2832820 0.3995536 0.5919784), wk = 0.0040650 k( 65) = ( -0.2931328 0.4134477 0.5749466), wk = 0.0040650 k( 66) = ( -0.3029836 0.4273417 0.5579148), wk = 0.0040650 k( 67) = ( -0.3128344 0.4412357 0.5408830), wk = 0.0040650 k( 68) = ( -0.3128344 0.4412357 0.5408830), wk = 0.0040650 k( 69) = ( -0.3030584 0.4274471 0.5239804), wk = 0.0040650 k( 70) = ( -0.2932823 0.4136585 0.5070778), wk = 0.0040650 k( 71) = ( -0.2835062 0.3998699 0.4901752), wk = 0.0040650 k( 72) = ( -0.2737301 0.3860813 0.4732726), wk = 0.0040650 k( 73) = ( -0.2639541 0.3722927 0.4563700), wk = 0.0040650 k( 74) = ( -0.2541780 0.3585040 0.4394674), wk = 0.0040650 k( 75) = ( -0.2444019 0.3447154 0.4225648), wk = 0.0040650 k( 76) = ( -0.2346258 0.3309268 0.4056622), wk = 0.0040650 k( 77) = ( -0.2248497 0.3171382 0.3887596), wk = 0.0040650 k( 78) = ( -0.2150737 0.3033496 0.3718570), wk = 0.0040650 k( 79) = ( -0.2052976 0.2895610 0.3549544), wk = 0.0040650 k( 80) = ( -0.1955215 0.2757723 0.3380519), wk = 0.0040650 k( 81) = ( -0.1857455 0.2619837 0.3211493), wk = 0.0040650 k( 82) = ( -0.1759694 0.2481951 0.3042467), wk = 0.0040650 k( 83) = ( -0.1661933 0.2344065 0.2873441), wk = 0.0040650 k( 84) = ( -0.1564172 0.2206179 0.2704415), wk = 0.0040650 k( 85) = ( -0.1466411 0.2068293 0.2535389), wk = 0.0040650 k( 86) = ( -0.1368651 0.1930406 0.2366363), wk = 0.0040650 k( 87) = ( -0.1270890 0.1792520 0.2197337), wk = 0.0040650 k( 88) = ( -0.1173129 0.1654634 0.2028311), wk = 0.0040650 k( 89) = ( -0.1075368 0.1516748 0.1859285), wk = 0.0040650 k( 90) = ( -0.0977608 0.1378862 0.1690259), wk = 0.0040650 k( 91) = ( -0.0879847 0.1240976 0.1521233), wk = 0.0040650 k( 92) = ( -0.0782086 0.1103089 0.1352207), wk = 0.0040650 k( 93) = ( -0.0684325 0.0965203 0.1183181), wk = 0.0040650 k( 94) = ( -0.0586565 0.0827317 0.1014156), wk = 0.0040650 k( 95) = ( -0.0488804 0.0689431 0.0845130), wk = 0.0040650 k( 96) = ( -0.0391043 0.0551545 0.0676104), wk = 0.0040650 k( 97) = ( -0.0293282 0.0413659 0.0507078), wk = 0.0040650 k( 98) = ( -0.0195522 0.0275772 0.0338052), wk = 0.0040650 k( 99) = ( -0.0097761 0.0137886 0.0169026), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 102) = ( 0.0200000 0.0141799 -0.0000000), wk = 0.0040650 k( 103) = ( 0.0400000 0.0283598 -0.0000000), wk = 0.0040650 k( 104) = ( 0.0600000 0.0425398 -0.0000000), wk = 0.0040650 k( 105) = ( 0.0800000 0.0567197 -0.0000000), wk = 0.0040650 k( 106) = ( 0.1000000 0.0708996 -0.0000000), wk = 0.0040650 k( 107) = ( 0.1200000 0.0850795 -0.0000000), wk = 0.0040650 k( 108) = ( 0.1400000 0.0992595 -0.0000000), wk = 0.0040650 k( 109) = ( 0.1600000 0.1134394 -0.0000000), wk = 0.0040650 k( 110) = ( 0.1800000 0.1276193 -0.0000000), wk = 0.0040650 k( 111) = ( 0.2000000 0.1417992 -0.0000000), wk = 0.0040650 k( 112) = ( 0.2200000 0.1559792 -0.0000000), wk = 0.0040650 k( 113) = ( 0.2400000 0.1701591 -0.0000000), wk = 0.0040650 k( 114) = ( 0.2600000 0.1843390 -0.0000000), wk = 0.0040650 k( 115) = ( 0.2800000 0.1985189 -0.0000000), wk = 0.0040650 k( 116) = ( 0.3000000 0.2126988 -0.0000000), wk = 0.0040650 k( 117) = ( 0.3200000 0.2268788 -0.0000000), wk = 0.0040650 k( 118) = ( 0.3400000 0.2410587 -0.0000000), wk = 0.0040650 k( 119) = ( 0.3600000 0.2552386 -0.0000000), wk = 0.0040650 k( 120) = ( 0.3800000 0.2694185 -0.0000000), wk = 0.0040650 k( 121) = ( 0.4000000 0.2835985 -0.0000000), wk = 0.0040650 k( 122) = ( 0.4200000 0.2977784 -0.0000000), wk = 0.0040650 k( 123) = ( 0.4400000 0.3119583 -0.0000000), wk = 0.0040650 k( 124) = ( 0.4600000 0.3261382 -0.0000000), wk = 0.0040650 k( 125) = ( 0.4800000 0.3403181 -0.0000000), wk = 0.0040650 k( 126) = ( 0.5000000 0.3544981 -0.0000000), wk = 0.0040650 k( 127) = ( 0.5000000 0.3544981 -0.0000000), wk = 0.0040650 k( 128) = ( 0.4901492 0.3683921 0.0170318), wk = 0.0040650 k( 129) = ( 0.4802984 0.3822861 0.0340636), wk = 0.0040650 k( 130) = ( 0.4704475 0.3961802 0.0510955), wk = 0.0040650 k( 131) = ( 0.4605967 0.4100742 0.0681273), wk = 0.0040650 k( 132) = ( 0.4507459 0.4239683 0.0851591), wk = 0.0040650 k( 133) = ( 0.4408951 0.4378623 0.1021909), wk = 0.0040650 k( 134) = ( 0.4310443 0.4517563 0.1192227), wk = 0.0040650 k( 135) = ( 0.4211935 0.4656504 0.1362546), wk = 0.0040650 k( 136) = ( 0.4113426 0.4795444 0.1532864), wk = 0.0040650 k( 137) = ( 0.4014918 0.4934384 0.1703182), wk = 0.0040650 k( 138) = ( 0.3916410 0.5073325 0.1873500), wk = 0.0040650 k( 139) = ( 0.3817902 0.5212265 0.2043819), wk = 0.0040650 k( 140) = ( 0.3719394 0.5351206 0.2214137), wk = 0.0040650 k( 141) = ( 0.3620885 0.5490146 0.2384455), wk = 0.0040650 k( 142) = ( 0.3522377 0.5629086 0.2554773), wk = 0.0040650 k( 143) = ( 0.3423869 0.5768027 0.2725091), wk = 0.0040650 k( 144) = ( 0.3325361 0.5906967 0.2895409), wk = 0.0040650 k( 145) = ( 0.3226853 0.6045907 0.3065728), wk = 0.0040650 k( 146) = ( 0.3128344 0.6184848 0.3236046), wk = 0.0040650 k( 147) = ( 0.3128344 0.6184848 0.3236046), wk = 0.0040650 k( 148) = ( 0.2904891 0.6121545 0.3313645), wk = 0.0040650 k( 149) = ( 0.2681438 0.6058241 0.3391245), wk = 0.0040650 k( 150) = ( 0.2457985 0.5994938 0.3468844), wk = 0.0040650 k( 151) = ( 0.2234532 0.5931635 0.3546444), wk = 0.0040650 k( 152) = ( 0.2011079 0.5868332 0.3624043), wk = 0.0040650 k( 153) = ( 0.1787625 0.5805028 0.3701642), wk = 0.0040650 k( 154) = ( 0.1564172 0.5741725 0.3779242), wk = 0.0040650 k( 155) = ( 0.1340719 0.5678422 0.3856841), wk = 0.0040650 k( 156) = ( 0.1117266 0.5615119 0.3934441), wk = 0.0040650 k( 157) = ( 0.0893813 0.5551815 0.4012040), wk = 0.0040650 k( 158) = ( 0.0670359 0.5488512 0.4089640), wk = 0.0040650 k( 159) = ( 0.0446906 0.5425209 0.4167239), wk = 0.0040650 k( 160) = ( 0.0223453 0.5361906 0.4244838), wk = 0.0040650 k( 161) = ( 0.0000000 0.5298603 0.4322438), wk = 0.0040650 k( 162) = ( 0.0000000 0.5298603 0.4322438), wk = 0.0040650 k( 163) = ( 0.0100000 0.5157558 0.4495335), wk = 0.0040650 k( 164) = ( 0.0200000 0.5016514 0.4668233), wk = 0.0040650 k( 165) = ( 0.0300000 0.4875469 0.4841130), wk = 0.0040650 k( 166) = ( 0.0400000 0.4734425 0.5014028), wk = 0.0040650 k( 167) = ( 0.0500000 0.4593380 0.5186925), wk = 0.0040650 k( 168) = ( 0.0600000 0.4452336 0.5359823), wk = 0.0040650 k( 169) = ( 0.0700000 0.4311291 0.5532720), wk = 0.0040650 k( 170) = ( 0.0800000 0.4170247 0.5705618), wk = 0.0040650 k( 171) = ( 0.0900000 0.4029202 0.5878515), wk = 0.0040650 k( 172) = ( 0.1000000 0.3888158 0.6051413), wk = 0.0040650 k( 173) = ( 0.1100000 0.3747113 0.6224310), wk = 0.0040650 k( 174) = ( 0.1200000 0.3606069 0.6397208), wk = 0.0040650 k( 175) = ( 0.1300000 0.3465024 0.6570105), wk = 0.0040650 k( 176) = ( 0.1400000 0.3323980 0.6743003), wk = 0.0040650 k( 177) = ( 0.1500000 0.3182935 0.6915900), wk = 0.0040650 k( 178) = ( 0.1600000 0.3041891 0.7088798), wk = 0.0040650 k( 179) = ( 0.1700000 0.2900846 0.7261695), wk = 0.0040650 k( 180) = ( 0.1800000 0.2759802 0.7434593), wk = 0.0040650 k( 181) = ( 0.1900000 0.2618757 0.7607490), wk = 0.0040650 k( 182) = ( 0.2000000 0.2477713 0.7780388), wk = 0.0040650 k( 183) = ( 0.2100000 0.2336668 0.7953285), wk = 0.0040650 k( 184) = ( 0.2200000 0.2195624 0.8126183), wk = 0.0040650 k( 185) = ( 0.2300000 0.2054579 0.8299080), wk = 0.0040650 k( 186) = ( 0.2400000 0.1913535 0.8471978), wk = 0.0040650 k( 187) = ( 0.2500000 0.1772490 0.8644875), wk = 0.0040650 k( 188) = ( 0.2500000 0.1772490 0.8644875), wk = 0.0040650 k( 189) = ( 0.2656250 0.1883271 0.8509076), wk = 0.0040650 k( 190) = ( 0.2812500 0.1994052 0.8373277), wk = 0.0040650 k( 191) = ( 0.2968750 0.2104832 0.8237478), wk = 0.0040650 k( 192) = ( 0.3125000 0.2215613 0.8101680), wk = 0.0040650 k( 193) = ( 0.3281250 0.2326394 0.7965880), wk = 0.0040650 k( 194) = ( 0.3437500 0.2437174 0.7830082), wk = 0.0040650 k( 195) = ( 0.3593750 0.2547955 0.7694283), wk = 0.0040650 k( 196) = ( 0.3750000 0.2658736 0.7558484), wk = 0.0040650 k( 197) = ( 0.3906250 0.2769516 0.7422685), wk = 0.0040650 k( 198) = ( 0.4062500 0.2880297 0.7286886), wk = 0.0040650 k( 199) = ( 0.4218750 0.2991077 0.7151087), wk = 0.0040650 k( 200) = ( 0.4375000 0.3101858 0.7015288), wk = 0.0040650 k( 201) = ( 0.4531250 0.3212639 0.6879489), wk = 0.0040650 k( 202) = ( 0.4687500 0.3323419 0.6743690), wk = 0.0040650 k( 203) = ( 0.4843750 0.3434200 0.6607891), wk = 0.0040650 k( 204) = ( 0.5000000 0.3544981 0.6472092), wk = 0.0040650 k( 205) = ( 0.5000000 0.3544981 0.6472092), wk = 0.0040650 k( 206) = ( 0.5000000 0.3544981 0.6232385), wk = 0.0040650 k( 207) = ( 0.5000000 0.3544981 0.5992678), wk = 0.0040650 k( 208) = ( 0.5000000 0.3544981 0.5752970), wk = 0.0040650 k( 209) = ( 0.5000000 0.3544981 0.5513263), wk = 0.0040650 k( 210) = ( 0.5000000 0.3544981 0.5273556), wk = 0.0040650 k( 211) = ( 0.5000000 0.3544981 0.5033849), wk = 0.0040650 k( 212) = ( 0.5000000 0.3544981 0.4794142), wk = 0.0040650 k( 213) = ( 0.5000000 0.3544981 0.4554435), wk = 0.0040650 k( 214) = ( 0.5000000 0.3544981 0.4314728), wk = 0.0040650 k( 215) = ( 0.5000000 0.3544981 0.4075021), wk = 0.0040650 k( 216) = ( 0.5000000 0.3544981 0.3835314), wk = 0.0040650 k( 217) = ( 0.5000000 0.3544981 0.3595607), wk = 0.0040650 k( 218) = ( 0.5000000 0.3544981 0.3355899), wk = 0.0040650 k( 219) = ( 0.5000000 0.3544981 0.3116192), wk = 0.0040650 k( 220) = ( 0.5000000 0.3544981 0.2876485), wk = 0.0040650 k( 221) = ( 0.5000000 0.3544981 0.2636778), wk = 0.0040650 k( 222) = ( 0.5000000 0.3544981 0.2397071), wk = 0.0040650 k( 223) = ( 0.5000000 0.3544981 0.2157364), wk = 0.0040650 k( 224) = ( 0.5000000 0.3544981 0.1917657), wk = 0.0040650 k( 225) = ( 0.5000000 0.3544981 0.1677950), wk = 0.0040650 k( 226) = ( 0.5000000 0.3544981 0.1438243), wk = 0.0040650 k( 227) = ( 0.5000000 0.3544981 0.1198536), wk = 0.0040650 k( 228) = ( 0.5000000 0.3544981 0.0958828), wk = 0.0040650 k( 229) = ( 0.5000000 0.3544981 0.0719121), wk = 0.0040650 k( 230) = ( 0.5000000 0.3544981 0.0479414), wk = 0.0040650 k( 231) = ( 0.5000000 0.3544981 0.0239707), wk = 0.0040650 k( 232) = ( 0.5000000 0.3544981 -0.0000000), wk = 0.0040650 k( 233) = ( 0.0000000 0.0000000 0.8644875), wk = 0.0040650 k( 234) = ( 0.0192308 0.0136345 0.8644875), wk = 0.0040650 k( 235) = ( 0.0384615 0.0272691 0.8644875), wk = 0.0040650 k( 236) = ( 0.0576923 0.0409036 0.8644875), wk = 0.0040650 k( 237) = ( 0.0769231 0.0545382 0.8644875), wk = 0.0040650 k( 238) = ( 0.0961538 0.0681727 0.8644875), wk = 0.0040650 k( 239) = ( 0.1153846 0.0818073 0.8644875), wk = 0.0040650 k( 240) = ( 0.1346154 0.0954418 0.8644875), wk = 0.0040650 k( 241) = ( 0.1538461 0.1090763 0.8644875), wk = 0.0040650 k( 242) = ( 0.1730769 0.1227109 0.8644875), wk = 0.0040650 k( 243) = ( 0.1923077 0.1363454 0.8644875), wk = 0.0040650 k( 244) = ( 0.2115385 0.1499800 0.8644875), wk = 0.0040650 k( 245) = ( 0.2307692 0.1636145 0.8644875), wk = 0.0040650 k( 246) = ( 0.2500000 0.1772490 0.8644875), wk = 0.0040650 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 2) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0040650 k( 3) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0040650 k( 4) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0040650 k( 5) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0040650 k( 6) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0040650 k( 7) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0040650 k( 8) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0040650 k( 9) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0040650 k( 10) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0040650 k( 11) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0040650 k( 12) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0040650 k( 13) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0040650 k( 14) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0040650 k( 15) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0040650 k( 16) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0040650 k( 17) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0040650 k( 18) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0040650 k( 19) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0040650 k( 20) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0040650 k( 21) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0040650 k( 22) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0040650 k( 23) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0040650 k( 24) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0040650 k( 25) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0040650 k( 26) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0040650 k( 27) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0040650 k( 28) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0040650 k( 29) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0040650 k( 30) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0040650 k( 31) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0040650 k( 32) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0040650 k( 33) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0040650 k( 34) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0040650 k( 35) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0040650 k( 36) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0040650 k( 37) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 38) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 39) = ( -0.0139632 0.0139632 0.5000000), wk = 0.0040650 k( 40) = ( -0.0279264 0.0279264 0.5000000), wk = 0.0040650 k( 41) = ( -0.0418896 0.0418896 0.5000000), wk = 0.0040650 k( 42) = ( -0.0558528 0.0558528 0.5000000), wk = 0.0040650 k( 43) = ( -0.0698161 0.0698161 0.5000000), wk = 0.0040650 k( 44) = ( -0.0837792 0.0837793 0.5000000), wk = 0.0040650 k( 45) = ( -0.0977425 0.0977425 0.5000000), wk = 0.0040650 k( 46) = ( -0.1117057 0.1117057 0.5000000), wk = 0.0040650 k( 47) = ( -0.1256689 0.1256689 0.5000000), wk = 0.0040650 k( 48) = ( -0.1256689 0.1256689 0.5000000), wk = 0.0040650 k( 49) = ( -0.1355197 0.1355197 0.4901492), wk = 0.0040650 k( 50) = ( -0.1453705 0.1453705 0.4802984), wk = 0.0040650 k( 51) = ( -0.1552213 0.1552213 0.4704475), wk = 0.0040650 k( 52) = ( -0.1650722 0.1650722 0.4605967), wk = 0.0040650 k( 53) = ( -0.1749230 0.1749230 0.4507459), wk = 0.0040650 k( 54) = ( -0.1847738 0.1847738 0.4408951), wk = 0.0040650 k( 55) = ( -0.1946246 0.1946246 0.4310443), wk = 0.0040650 k( 56) = ( -0.2044754 0.2044754 0.4211935), wk = 0.0040650 k( 57) = ( -0.2143262 0.2143263 0.4113426), wk = 0.0040650 k( 58) = ( -0.2241771 0.2241771 0.4014918), wk = 0.0040650 k( 59) = ( -0.2340279 0.2340279 0.3916410), wk = 0.0040650 k( 60) = ( -0.2438787 0.2438787 0.3817902), wk = 0.0040650 k( 61) = ( -0.2537295 0.2537295 0.3719394), wk = 0.0040650 k( 62) = ( -0.2635804 0.2635804 0.3620885), wk = 0.0040650 k( 63) = ( -0.2734312 0.2734312 0.3522377), wk = 0.0040650 k( 64) = ( -0.2832820 0.2832820 0.3423869), wk = 0.0040650 k( 65) = ( -0.2931328 0.2931328 0.3325361), wk = 0.0040650 k( 66) = ( -0.3029836 0.3029836 0.3226853), wk = 0.0040650 k( 67) = ( -0.3128344 0.3128344 0.3128344), wk = 0.0040650 k( 68) = ( -0.3128344 0.3128344 0.3128344), wk = 0.0040650 k( 69) = ( -0.3030584 0.3030584 0.3030584), wk = 0.0040650 k( 70) = ( -0.2932823 0.2932823 0.2932823), wk = 0.0040650 k( 71) = ( -0.2835062 0.2835062 0.2835062), wk = 0.0040650 k( 72) = ( -0.2737301 0.2737301 0.2737301), wk = 0.0040650 k( 73) = ( -0.2639541 0.2639541 0.2639541), wk = 0.0040650 k( 74) = ( -0.2541780 0.2541780 0.2541780), wk = 0.0040650 k( 75) = ( -0.2444019 0.2444019 0.2444019), wk = 0.0040650 k( 76) = ( -0.2346258 0.2346258 0.2346258), wk = 0.0040650 k( 77) = ( -0.2248497 0.2248497 0.2248498), wk = 0.0040650 k( 78) = ( -0.2150737 0.2150737 0.2150737), wk = 0.0040650 k( 79) = ( -0.2052976 0.2052976 0.2052976), wk = 0.0040650 k( 80) = ( -0.1955215 0.1955215 0.1955215), wk = 0.0040650 k( 81) = ( -0.1857455 0.1857455 0.1857455), wk = 0.0040650 k( 82) = ( -0.1759694 0.1759694 0.1759694), wk = 0.0040650 k( 83) = ( -0.1661933 0.1661933 0.1661933), wk = 0.0040650 k( 84) = ( -0.1564172 0.1564172 0.1564172), wk = 0.0040650 k( 85) = ( -0.1466411 0.1466411 0.1466411), wk = 0.0040650 k( 86) = ( -0.1368651 0.1368651 0.1368651), wk = 0.0040650 k( 87) = ( -0.1270890 0.1270890 0.1270890), wk = 0.0040650 k( 88) = ( -0.1173129 0.1173129 0.1173129), wk = 0.0040650 k( 89) = ( -0.1075368 0.1075368 0.1075368), wk = 0.0040650 k( 90) = ( -0.0977608 0.0977608 0.0977608), wk = 0.0040650 k( 91) = ( -0.0879847 0.0879847 0.0879847), wk = 0.0040650 k( 92) = ( -0.0782086 0.0782086 0.0782086), wk = 0.0040650 k( 93) = ( -0.0684325 0.0684325 0.0684325), wk = 0.0040650 k( 94) = ( -0.0586565 0.0586565 0.0586565), wk = 0.0040650 k( 95) = ( -0.0488804 0.0488804 0.0488804), wk = 0.0040650 k( 96) = ( -0.0391043 0.0391043 0.0391043), wk = 0.0040650 k( 97) = ( -0.0293282 0.0293282 0.0293282), wk = 0.0040650 k( 98) = ( -0.0195522 0.0195522 0.0195522), wk = 0.0040650 k( 99) = ( -0.0097761 0.0097761 0.0097761), wk = 0.0040650 k( 100) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0040650 k( 102) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0040650 k( 103) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0040650 k( 104) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0040650 k( 105) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0040650 k( 106) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0040650 k( 107) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0040650 k( 108) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0040650 k( 109) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0040650 k( 110) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0040650 k( 111) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0040650 k( 112) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0040650 k( 113) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0040650 k( 114) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0040650 k( 115) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0040650 k( 116) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0040650 k( 117) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0040650 k( 118) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0040650 k( 119) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0040650 k( 120) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0040650 k( 121) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0040650 k( 122) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0040650 k( 123) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0040650 k( 124) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0040650 k( 125) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0040650 k( 126) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 127) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 128) = ( 0.4901492 0.5098508 -0.4901492), wk = 0.0040650 k( 129) = ( 0.4802984 0.5197016 -0.4802984), wk = 0.0040650 k( 130) = ( 0.4704475 0.5295525 -0.4704475), wk = 0.0040650 k( 131) = ( 0.4605967 0.5394033 -0.4605967), wk = 0.0040650 k( 132) = ( 0.4507459 0.5492541 -0.4507459), wk = 0.0040650 k( 133) = ( 0.4408951 0.5591049 -0.4408951), wk = 0.0040650 k( 134) = ( 0.4310443 0.5689557 -0.4310443), wk = 0.0040650 k( 135) = ( 0.4211935 0.5788066 -0.4211935), wk = 0.0040650 k( 136) = ( 0.4113426 0.5886574 -0.4113426), wk = 0.0040650 k( 137) = ( 0.4014918 0.5985082 -0.4014918), wk = 0.0040650 k( 138) = ( 0.3916410 0.6083590 -0.3916410), wk = 0.0040650 k( 139) = ( 0.3817902 0.6182098 -0.3817902), wk = 0.0040650 k( 140) = ( 0.3719394 0.6280606 -0.3719394), wk = 0.0040650 k( 141) = ( 0.3620885 0.6379115 -0.3620885), wk = 0.0040650 k( 142) = ( 0.3522377 0.6477623 -0.3522377), wk = 0.0040650 k( 143) = ( 0.3423869 0.6576131 -0.3423869), wk = 0.0040650 k( 144) = ( 0.3325361 0.6674639 -0.3325361), wk = 0.0040650 k( 145) = ( 0.3226853 0.6773147 -0.3226853), wk = 0.0040650 k( 146) = ( 0.3128344 0.6871656 -0.3128344), wk = 0.0040650 k( 147) = ( 0.3128344 0.6871656 -0.3128344), wk = 0.0040650 k( 148) = ( 0.2904891 0.6737966 -0.2904891), wk = 0.0040650 k( 149) = ( 0.2681438 0.6604276 -0.2681438), wk = 0.0040650 k( 150) = ( 0.2457985 0.6470587 -0.2457985), wk = 0.0040650 k( 151) = ( 0.2234532 0.6336897 -0.2234532), wk = 0.0040650 k( 152) = ( 0.2011079 0.6203207 -0.2011079), wk = 0.0040650 k( 153) = ( 0.1787625 0.6069518 -0.1787625), wk = 0.0040650 k( 154) = ( 0.1564172 0.5935828 -0.1564172), wk = 0.0040650 k( 155) = ( 0.1340719 0.5802138 -0.1340719), wk = 0.0040650 k( 156) = ( 0.1117266 0.5668448 -0.1117266), wk = 0.0040650 k( 157) = ( 0.0893813 0.5534759 -0.0893813), wk = 0.0040650 k( 158) = ( 0.0670359 0.5401069 -0.0670360), wk = 0.0040650 k( 159) = ( 0.0446906 0.5267379 -0.0446906), wk = 0.0040650 k( 160) = ( 0.0223453 0.5133690 -0.0223453), wk = 0.0040650 k( 161) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040650 k( 162) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0040650 k( 163) = ( 0.0100000 0.4900000 0.0100000), wk = 0.0040650 k( 164) = ( 0.0200000 0.4800000 0.0200000), wk = 0.0040650 k( 165) = ( 0.0300000 0.4700000 0.0300000), wk = 0.0040650 k( 166) = ( 0.0400000 0.4600000 0.0400000), wk = 0.0040650 k( 167) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0040650 k( 168) = ( 0.0600000 0.4400000 0.0600000), wk = 0.0040650 k( 169) = ( 0.0700000 0.4300000 0.0700000), wk = 0.0040650 k( 170) = ( 0.0800000 0.4200000 0.0800000), wk = 0.0040650 k( 171) = ( 0.0900000 0.4100000 0.0900000), wk = 0.0040650 k( 172) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0040650 k( 173) = ( 0.1100000 0.3900000 0.1100000), wk = 0.0040650 k( 174) = ( 0.1200000 0.3800000 0.1200000), wk = 0.0040650 k( 175) = ( 0.1300000 0.3700000 0.1300000), wk = 0.0040650 k( 176) = ( 0.1400000 0.3600000 0.1400000), wk = 0.0040650 k( 177) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0040650 k( 178) = ( 0.1600000 0.3400000 0.1600000), wk = 0.0040650 k( 179) = ( 0.1700000 0.3300000 0.1700000), wk = 0.0040650 k( 180) = ( 0.1800000 0.3200000 0.1800000), wk = 0.0040650 k( 181) = ( 0.1900000 0.3100000 0.1900000), wk = 0.0040650 k( 182) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0040650 k( 183) = ( 0.2100000 0.2900000 0.2100000), wk = 0.0040650 k( 184) = ( 0.2200000 0.2800000 0.2200000), wk = 0.0040650 k( 185) = ( 0.2300000 0.2700000 0.2300000), wk = 0.0040650 k( 186) = ( 0.2400000 0.2600000 0.2400000), wk = 0.0040650 k( 187) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 k( 188) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 k( 189) = ( 0.2656250 0.2656250 0.2265207), wk = 0.0040650 k( 190) = ( 0.2812500 0.2812500 0.2030414), wk = 0.0040650 k( 191) = ( 0.2968750 0.2968750 0.1795621), wk = 0.0040650 k( 192) = ( 0.3125000 0.3125000 0.1560828), wk = 0.0040650 k( 193) = ( 0.3281250 0.3281250 0.1326035), wk = 0.0040650 k( 194) = ( 0.3437500 0.3437500 0.1091242), wk = 0.0040650 k( 195) = ( 0.3593750 0.3593750 0.0856449), wk = 0.0040650 k( 196) = ( 0.3750000 0.3750000 0.0621656), wk = 0.0040650 k( 197) = ( 0.3906250 0.3906250 0.0386862), wk = 0.0040650 k( 198) = ( 0.4062500 0.4062500 0.0152069), wk = 0.0040650 k( 199) = ( 0.4218750 0.4218750 -0.0082724), wk = 0.0040650 k( 200) = ( 0.4375000 0.4375000 -0.0317517), wk = 0.0040650 k( 201) = ( 0.4531250 0.4531250 -0.0552310), wk = 0.0040650 k( 202) = ( 0.4687500 0.4687500 -0.0787103), wk = 0.0040650 k( 203) = ( 0.4843750 0.4843750 -0.1021896), wk = 0.0040650 k( 204) = ( 0.5000000 0.5000000 -0.1256689), wk = 0.0040650 k( 205) = ( 0.5000000 0.5000000 -0.1256689), wk = 0.0040650 k( 206) = ( 0.5000000 0.5000000 -0.1395330), wk = 0.0040650 k( 207) = ( 0.5000000 0.5000000 -0.1533971), wk = 0.0040650 k( 208) = ( 0.5000000 0.5000000 -0.1672612), wk = 0.0040650 k( 209) = ( 0.5000000 0.5000000 -0.1811253), wk = 0.0040650 k( 210) = ( 0.5000000 0.5000000 -0.1949895), wk = 0.0040650 k( 211) = ( 0.5000000 0.5000000 -0.2088536), wk = 0.0040650 k( 212) = ( 0.5000000 0.5000000 -0.2227177), wk = 0.0040650 k( 213) = ( 0.5000000 0.5000000 -0.2365818), wk = 0.0040650 k( 214) = ( 0.5000000 0.5000000 -0.2504459), wk = 0.0040650 k( 215) = ( 0.5000000 0.5000000 -0.2643100), wk = 0.0040650 k( 216) = ( 0.5000000 0.5000000 -0.2781742), wk = 0.0040650 k( 217) = ( 0.5000000 0.5000000 -0.2920383), wk = 0.0040650 k( 218) = ( 0.5000000 0.5000000 -0.3059024), wk = 0.0040650 k( 219) = ( 0.5000000 0.5000000 -0.3197665), wk = 0.0040650 k( 220) = ( 0.5000000 0.5000000 -0.3336306), wk = 0.0040650 k( 221) = ( 0.5000000 0.5000000 -0.3474947), wk = 0.0040650 k( 222) = ( 0.5000000 0.5000000 -0.3613588), wk = 0.0040650 k( 223) = ( 0.5000000 0.5000000 -0.3752230), wk = 0.0040650 k( 224) = ( 0.5000000 0.5000000 -0.3890871), wk = 0.0040650 k( 225) = ( 0.5000000 0.5000000 -0.4029512), wk = 0.0040650 k( 226) = ( 0.5000000 0.5000000 -0.4168153), wk = 0.0040650 k( 227) = ( 0.5000000 0.5000000 -0.4306794), wk = 0.0040650 k( 228) = ( 0.5000000 0.5000000 -0.4445435), wk = 0.0040650 k( 229) = ( 0.5000000 0.5000000 -0.4584077), wk = 0.0040650 k( 230) = ( 0.5000000 0.5000000 -0.4722718), wk = 0.0040650 k( 231) = ( 0.5000000 0.5000000 -0.4861359), wk = 0.0040650 k( 232) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0040650 k( 233) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0040650 k( 234) = ( 0.0192308 0.0192308 0.4807692), wk = 0.0040650 k( 235) = ( 0.0384615 0.0384615 0.4615385), wk = 0.0040650 k( 236) = ( 0.0576923 0.0576923 0.4423077), wk = 0.0040650 k( 237) = ( 0.0769231 0.0769231 0.4230769), wk = 0.0040650 k( 238) = ( 0.0961538 0.0961538 0.4038462), wk = 0.0040650 k( 239) = ( 0.1153846 0.1153846 0.3846154), wk = 0.0040650 k( 240) = ( 0.1346154 0.1346154 0.3653846), wk = 0.0040650 k( 241) = ( 0.1538461 0.1538461 0.3461538), wk = 0.0040650 k( 242) = ( 0.1730769 0.1730769 0.3269231), wk = 0.0040650 k( 243) = ( 0.1923077 0.1923077 0.3076923), wk = 0.0040650 k( 244) = ( 0.2115385 0.2115385 0.2884615), wk = 0.0040650 k( 245) = ( 0.2307692 0.2307692 0.2692308), wk = 0.0040650 k( 246) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0040650 Dense grid: 243597 G-vectors FFT dimensions: ( 96, 96, 96) Smooth grid: 91119 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.54 Mb ( 480, 74) NL pseudopotentials 0.61 Mb ( 240, 166) Each V/rho on FFT grid 0.28 Mb ( 18432) Each G-vector array 0.04 Mb ( 5076) G-vector shells 0.02 Mb ( 2379) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.17 Mb ( 480, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.37 Mb ( 166, 2, 74) The potential is recalculated from file : ./Ag2HgI4.save/charge-density.dat Starting wfc are 86 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.3 secs Computing kpt #: 2 total cpu time spent up to now is 54.6 secs Computing kpt #: 3 total cpu time spent up to now is 61.9 secs Computing kpt #: 4 total cpu time spent up to now is 69.7 secs Computing kpt #: 5 total cpu time spent up to now is 79.3 secs Computing kpt #: 6 total cpu time spent up to now is 86.7 secs Computing kpt #: 7 total cpu time spent up to now is 94.2 secs Computing kpt #: 8 total cpu time spent up to now is 102.0 secs Computing kpt #: 9 total cpu time spent up to now is 109.9 secs Computing kpt #: 10 total cpu time spent up to now is 118.1 secs Computing kpt #: 11 total cpu time spent up to now is 126.3 secs Computing kpt #: 12 total cpu time spent up to now is 135.1 secs Computing kpt #: 13 total cpu time spent up to now is 143.9 secs Computing kpt #: 14 total cpu time spent up to now is 152.9 secs Computing kpt #: 15 total cpu time spent up to now is 162.7 secs Computing kpt #: 16 total cpu time spent up to now is 171.7 secs Computing kpt #: 17 total cpu time spent up to now is 181.5 secs Computing kpt #: 18 total cpu time spent up to now is 191.0 secs Computing kpt #: 19 total cpu time spent up to now is 199.9 secs Computing kpt #: 20 total cpu time spent up to now is 208.7 secs Computing kpt #: 21 total cpu time spent up to now is 217.5 secs Computing kpt #: 22 total cpu time spent up to now is 226.4 secs Computing kpt #: 23 total cpu time spent up to now is 235.3 secs Computing kpt #: 24 total cpu time spent up to now is 244.0 secs Computing kpt #: 25 total cpu time spent up to now is 252.7 secs Computing kpt #: 26 total cpu time spent up to now is 261.8 secs Computing kpt #: 27 total cpu time spent up to now is 270.5 secs Computing kpt #: 28 total cpu time spent up to now is 279.8 secs Computing kpt #: 29 total cpu time spent up to now is 288.7 secs Computing kpt #: 30 total cpu time spent up to now is 297.8 secs Computing kpt #: 31 total cpu time spent up to now is 307.0 secs Computing kpt #: 32 total cpu time spent up to now is 316.0 secs Computing kpt #: 33 total cpu time spent up to now is 325.1 secs Computing kpt #: 34 total cpu time spent up to now is 333.8 secs Computing kpt #: 35 total cpu time spent up to now is 342.7 secs Computing kpt #: 36 total cpu time spent up to now is 351.7 secs Computing kpt #: 37 total cpu time spent up to now is 360.8 secs Computing kpt #: 38 total cpu time spent up to now is 369.8 secs Computing kpt #: 39 total cpu time spent up to now is 380.5 secs Computing kpt #: 40 total cpu time spent up to now is 389.4 secs Computing kpt #: 41 total cpu time spent up to now is 398.0 secs Computing kpt #: 42 total cpu time spent up to now is 406.6 secs Computing kpt #: 43 total cpu time spent up to now is 415.6 secs Computing kpt #: 44 total cpu time spent up to now is 424.7 secs Computing kpt #: 45 total cpu time spent up to now is 433.8 secs Computing kpt #: 46 total cpu time spent up to now is 443.8 secs Computing kpt #: 47 total cpu time spent up to now is 452.6 secs Computing kpt #: 48 total cpu time spent up to now is 461.3 secs Computing kpt #: 49 total cpu time spent up to now is 470.4 secs Computing kpt #: 50 total cpu time spent up to now is 481.6 secs Computing kpt #: 51 total cpu time spent up to now is 491.3 secs Computing kpt #: 52 total cpu time spent up to now is 500.9 secs Computing kpt #: 53 total cpu time spent up to now is 510.2 secs Computing kpt #: 54 total cpu time spent up to now is 519.2 secs Computing kpt #: 55 total cpu time spent up to now is 527.6 secs Computing kpt #: 56 total cpu time spent up to now is 536.7 secs Computing kpt #: 57 total cpu time spent up to now is 545.8 secs Computing kpt #: 58 total cpu time spent up to now is 554.8 secs Computing kpt #: 59 total cpu time spent up to now is 563.4 secs Computing kpt #: 60 total cpu time spent up to now is 572.2 secs Computing kpt #: 61 total cpu time spent up to now is 580.8 secs Computing kpt #: 62 total cpu time spent up to now is 588.7 secs Computing kpt #: 63 total cpu time spent up to now is 597.2 secs Computing kpt #: 64 total cpu time spent up to now is 605.9 secs Computing kpt #: 65 total cpu time spent up to now is 614.5 secs Computing kpt #: 66 total cpu time spent up to now is 623.1 secs Computing kpt #: 67 total cpu time spent up to now is 631.1 secs Computing kpt #: 68 total cpu time spent up to now is 639.7 secs Computing kpt #: 69 total cpu time spent up to now is 648.5 secs Computing kpt #: 70 total cpu time spent up to now is 656.4 secs Computing kpt #: 71 total cpu time spent up to now is 664.5 secs Computing kpt #: 72 total cpu time spent up to now is 675.2 secs Computing kpt #: 73 total cpu time spent up to now is 683.5 secs Computing kpt #: 74 total cpu time spent up to now is 692.1 secs Computing kpt #: 75 total cpu time spent up to now is 700.2 secs Computing kpt #: 76 total cpu time spent up to now is 708.1 secs Computing kpt #: 77 total cpu time spent up to now is 715.9 secs Computing kpt #: 78 total cpu time spent up to now is 723.9 secs Computing kpt #: 79 total cpu time spent up to now is 732.1 secs Computing kpt #: 80 total cpu time spent up to now is 740.1 secs Computing kpt #: 81 total cpu time spent up to now is 748.2 secs Computing kpt #: 82 total cpu time spent up to now is 756.1 secs Computing kpt #: 83 total cpu time spent up to now is 764.9 secs Computing kpt #: 84 total cpu time spent up to now is 773.6 secs Computing kpt #: 85 total cpu time spent up to now is 782.1 secs Computing kpt #: 86 total cpu time spent up to now is 790.6 secs Computing kpt #: 87 total cpu time spent up to now is 799.2 secs Computing kpt #: 88 total cpu time spent up to now is 807.8 secs Computing kpt #: 89 total cpu time spent up to now is 816.5 secs Computing kpt #: 90 total cpu time spent up to now is 824.9 secs Computing kpt #: 91 total cpu time spent up to now is 833.3 secs Computing kpt #: 92 total cpu time spent up to now is 841.1 secs Computing kpt #: 93 total cpu time spent up to now is 848.8 secs Computing kpt #: 94 total cpu time spent up to now is 856.4 secs Computing kpt #: 95 total cpu time spent up to now is 863.9 secs Computing kpt #: 96 total cpu time spent up to now is 871.4 secs Computing kpt #: 97 total cpu time spent up to now is 878.7 secs Computing kpt #: 98 total cpu time spent up to now is 885.9 secs Computing kpt #: 99 total cpu time spent up to now is 893.3 secs Computing kpt #: 100 total cpu time spent up to now is 900.7 secs Computing kpt #: 101 total cpu time spent up to now is 908.1 secs Computing kpt #: 102 total cpu time spent up to now is 915.6 secs Computing kpt #: 103 total cpu time spent up to now is 923.6 secs Computing kpt #: 104 total cpu time spent up to now is 931.4 secs Computing kpt #: 105 total cpu time spent up to now is 938.8 secs Computing kpt #: 106 total cpu time spent up to now is 946.0 secs Computing kpt #: 107 total cpu time spent up to now is 953.1 secs Computing kpt #: 108 total cpu time spent up to now is 960.2 secs Computing kpt #: 109 total cpu time spent up to now is 967.2 secs Computing kpt #: 110 total cpu time spent up to now is 975.2 secs Computing kpt #: 111 total cpu time spent up to now is 982.0 secs Computing kpt #: 112 total cpu time spent up to now is 989.0 secs Computing kpt #: 113 total cpu time spent up to now is 995.7 secs Computing kpt #: 114 total cpu time spent up to now is 1002.5 secs Computing kpt #: 115 total cpu time spent up to now is 1009.1 secs Computing kpt #: 116 total cpu time spent up to now is 1015.9 secs Computing kpt #: 117 total cpu time spent up to now is 1022.7 secs Computing kpt #: 118 total cpu time spent up to now is 1029.6 secs Computing kpt #: 119 total cpu time spent up to now is 1036.5 secs Computing kpt #: 120 total cpu time spent up to now is 1043.4 secs Computing kpt #: 121 total cpu time spent up to now is 1050.0 secs Computing kpt #: 122 total cpu time spent up to now is 1056.8 secs Computing kpt #: 123 total cpu time spent up to now is 1063.6 secs Computing kpt #: 124 total cpu time spent up to now is 1070.3 secs Computing kpt #: 125 total cpu time spent up to now is 1077.3 secs Computing kpt #: 126 total cpu time spent up to now is 1083.9 secs Computing kpt #: 127 total cpu time spent up to now is 1090.7 secs Computing kpt #: 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kpt #: 143 total cpu time spent up to now is 1212.3 secs Computing kpt #: 144 total cpu time spent up to now is 1220.9 secs Computing kpt #: 145 total cpu time spent up to now is 1229.5 secs Computing kpt #: 146 total cpu time spent up to now is 1237.5 secs Computing kpt #: 147 total cpu time spent up to now is 1246.3 secs Computing kpt #: 148 total cpu time spent up to now is 1254.4 secs Computing kpt #: 149 total cpu time spent up to now is 1263.1 secs Computing kpt #: 150 total cpu time spent up to now is 1271.9 secs Computing kpt #: 151 total cpu time spent up to now is 1280.7 secs Computing kpt #: 152 total cpu time spent up to now is 1288.9 secs Computing kpt #: 153 total cpu time spent up to now is 1297.0 secs Computing kpt #: 154 total cpu time spent up to now is 1306.0 secs Computing kpt #: 155 total cpu time spent up to now is 1314.7 secs Computing kpt #: 156 total cpu time spent up to now is 1322.8 secs Computing kpt #: 157 total cpu time spent up to now is 1330.9 secs Computing kpt #: 158 total cpu time spent up to now is 1339.0 secs Computing kpt #: 159 total cpu time spent up to now is 1347.4 secs Computing kpt #: 160 total cpu time spent up to now is 1356.2 secs Computing kpt #: 161 total cpu time spent up to now is 1365.3 secs Computing kpt #: 162 total cpu time spent up to now is 1374.6 secs Computing kpt #: 163 total cpu time spent up to now is 1383.7 secs Computing kpt #: 164 total cpu time spent up to now is 1392.7 secs Computing kpt #: 165 total cpu time spent up to now is 1401.6 secs Computing kpt #: 166 total cpu time spent up to now is 1410.4 secs Computing kpt #: 167 total cpu time spent up to now is 1419.5 secs Computing kpt #: 168 total cpu time spent up to now is 1428.7 secs Computing kpt #: 169 total cpu time spent up to now is 1437.7 secs Computing kpt #: 170 total cpu time spent up to now is 1446.7 secs Computing kpt #: 171 total cpu time spent up to now is 1455.4 secs Computing kpt #: 172 total cpu time spent up to now is 1464.2 secs Computing kpt #: 173 total cpu time spent up to now is 1472.9 secs Computing kpt #: 174 total cpu time spent up to now is 1481.6 secs Computing kpt #: 175 total cpu time spent up to now is 1490.3 secs Computing kpt #: 176 total cpu time spent up to now is 1499.0 secs Computing kpt #: 177 total cpu time spent up to now is 1508.1 secs Computing kpt #: 178 total cpu time spent up to now is 1517.2 secs Computing kpt #: 179 total cpu time spent up to now is 1527.1 secs Computing kpt #: 180 total cpu time spent up to now is 1536.5 secs Computing kpt #: 181 total cpu time spent up to now is 1545.7 secs Computing kpt #: 182 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1558.9 secs Computing kpt #: 183 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1572.9 secs Computing kpt #: 184 total cpu time spent up to now is 1584.2 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1597.3 secs Computing kpt #: 186 total cpu time spent up to now is 1608.9 secs Computing kpt #: 187 total cpu time spent up to now is 1621.4 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1634.6 secs Computing kpt #: 189 total cpu time spent up to now is 1646.3 secs Computing kpt #: 190 total cpu time spent up to now is 1657.8 secs Computing kpt #: 191 total cpu time spent up to now is 1670.0 secs Computing kpt #: 192 total cpu time spent up to now is 1679.3 secs Computing kpt #: 193 total cpu time spent up to now is 1688.6 secs Computing kpt #: 194 total cpu time spent up to now is 1700.0 secs Computing kpt #: 195 total cpu time spent up to now is 1710.6 secs Computing kpt #: 196 total cpu time spent up to now is 1719.9 secs Computing kpt #: 197 total cpu time spent up to now is 1729.9 secs Computing kpt #: 198 total cpu time spent up to now is 1740.1 secs Computing kpt #: 199 total cpu time spent up to now is 1750.3 secs Computing kpt #: 200 total cpu time spent up to now is 1759.4 secs Computing kpt #: 201 total cpu time spent up to now is 1768.6 secs Computing kpt #: 202 total cpu time spent up to now is 1778.0 secs Computing kpt #: 203 total cpu time spent up to now is 1787.3 secs Computing kpt #: 204 total cpu time spent up to now is 1796.5 secs Computing kpt #: 205 total cpu time spent up to now is 1805.5 secs Computing kpt #: 206 total cpu time spent up to now is 1814.1 secs Computing kpt #: 207 total cpu time spent up to now is 1824.2 secs Computing kpt #: 208 total cpu time spent up to now is 1834.2 secs Computing kpt #: 209 total cpu time spent up to now is 1844.1 secs Computing kpt #: 210 total cpu time spent up to now is 1853.4 secs Computing kpt #: 211 total cpu time spent up to now is 1862.6 secs Computing kpt #: 212 total cpu time spent up to now is 1873.1 secs Computing kpt #: 213 total cpu time spent up to now is 1882.7 secs Computing kpt #: 214 total cpu time spent up to now is 1891.6 secs Computing kpt #: 215 total cpu time spent up to now is 1900.3 secs Computing kpt #: 216 total cpu time spent up to now is 1908.9 secs Computing kpt #: 217 total cpu time spent up to now is 1917.3 secs Computing kpt #: 218 total cpu time spent up to now is 1925.5 secs Computing kpt #: 219 total cpu time spent up to now is 1933.3 secs Computing kpt #: 220 total cpu time spent up to now is 1941.1 secs Computing kpt #: 221 total cpu time spent up to now is 1948.6 secs Computing kpt #: 222 total cpu time spent up to now is 1956.0 secs Computing kpt #: 223 total cpu time spent up to now is 1963.2 secs Computing kpt #: 224 total cpu time spent up to now is 1970.4 secs Computing kpt #: 225 total cpu time spent up to now is 1977.8 secs Computing kpt #: 226 total cpu time spent up to now is 1985.2 secs Computing kpt #: 227 total cpu time spent up to now is 1992.7 secs Computing kpt #: 228 total cpu time spent up to now is 1999.7 secs Computing kpt #: 229 total cpu time spent up to now is 2006.6 secs Computing kpt #: 230 total cpu time spent up to now is 2013.3 secs Computing kpt #: 231 total cpu time spent up to now is 2020.1 secs Computing kpt #: 232 total cpu time spent up to now is 2026.7 secs Computing kpt #: 233 total cpu time spent up to now is 2035.2 secs Computing kpt #: 234 total cpu time spent up to now is 2044.1 secs Computing kpt #: 235 total cpu time spent up to now is 2053.1 secs Computing kpt #: 236 total cpu time spent up to now is 2061.9 secs Computing kpt #: 237 total cpu time spent up to now is 2070.7 secs Computing kpt #: 238 total cpu time spent up to now is 2079.5 secs Computing kpt #: 239 total cpu time spent up to now is 2088.4 secs Computing kpt #: 240 total cpu time spent up to now is 2097.6 secs Computing kpt #: 241 total cpu time spent up to now is 2106.4 secs Computing kpt #: 242 total cpu time spent up to now is 2117.4 secs Computing kpt #: 243 total cpu time spent up to now is 2127.7 secs Computing kpt #: 244 total cpu time spent up to now is 2139.8 secs Computing kpt #: 245 total cpu time spent up to now is 2150.3 secs Computing kpt #: 246 total cpu time spent up to now is 2161.4 secs ethr = 1.61E-11, avg # of iterations = 45.7 total cpu time spent up to now is 2161.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 11295 PWs) bands (ev): -8.3546 -8.3546 -7.8426 -7.8426 -7.8389 -7.8389 -7.8341 -7.8341 -3.1167 -3.1167 -3.0944 -3.0944 -1.5460 -1.5460 -1.4586 -1.4586 -1.4069 -1.4069 -0.8187 -0.8187 0.3542 0.3542 0.5800 0.5800 0.6466 0.6466 0.6638 0.6638 0.7572 0.7572 0.9516 0.9516 1.0871 1.0871 1.1750 1.1750 1.3453 1.3453 1.5725 1.5725 1.5749 1.5749 1.9422 1.9422 2.0253 2.0253 2.1411 2.1411 2.3318 2.3318 2.5503 2.5503 2.8869 2.8869 2.9731 2.9731 3.7981 3.7981 4.5284 4.5284 4.5623 4.5623 5.5678 5.5678 7.7387 7.7387 8.0649 8.0649 8.7488 8.7488 9.4457 9.4457 9.6966 9.6966 k = 0.0000 0.0000 0.0240 ( 11315 PWs) bands (ev): -8.3542 -8.3542 -7.8432 -7.8422 -7.8395 -7.8387 -7.8344 -7.8343 -3.1169 -3.1167 -3.0944 -3.0943 -1.5466 -1.5456 -1.4589 -1.4582 -1.4072 -1.4063 -0.8187 -0.8178 0.3513 0.3573 0.5772 0.5816 0.6415 0.6500 0.6594 0.6692 0.7524 0.7624 0.9491 0.9538 1.0794 1.0934 1.1631 1.1869 1.3431 1.3480 1.5663 1.5714 1.5762 1.5779 1.9313 1.9435 2.0252 2.0303 2.1355 2.1545 2.3218 2.3439 2.5452 2.5572 2.8777 2.8966 2.9604 2.9886 3.7950 3.7972 4.5241 4.5260 4.5553 4.5588 5.5732 5.5781 7.7369 7.7442 8.0675 8.0696 8.7466 8.7497 9.4363 9.4548 9.6952 9.6983 k = 0.0000 0.0000 0.0480 ( 11313 PWs) bands (ev): -8.3529 -8.3528 -7.8441 -7.8419 -7.8404 -7.8389 -7.8350 -7.8350 -3.1171 -3.1168 -3.0945 -3.0942 -1.5475 -1.5456 -1.4592 -1.4578 -1.4074 -1.4057 -0.8178 -0.8159 0.3487 0.3606 0.5736 0.5821 0.6353 0.6501 0.6574 0.6753 0.7480 0.7685 0.9467 0.9556 1.0712 1.0968 1.1528 1.1979 1.3416 1.3512 1.5570 1.5678 1.5769 1.5812 1.9151 1.9332 2.0289 2.0409 2.1367 2.1744 2.3151 2.3573 2.5422 2.5659 2.8686 2.9071 2.9506 3.0074 3.7877 3.7924 4.5104 4.5136 4.5416 4.5493 5.5938 5.6032 7.7389 7.7532 8.0778 8.0815 8.7429 8.7494 9.4267 9.4636 9.6941 9.7003 k = 0.0000 0.0000 0.0720 ( 11325 PWs) bands (ev): -8.3507 -8.3506 -7.8452 -7.8420 -7.8417 -7.8394 -7.8360 -7.8359 -3.1174 -3.1170 -3.0946 -3.0941 -1.5486 -1.5459 -1.4595 -1.4573 -1.4074 -1.4049 -0.8159 -0.8131 0.3463 0.3641 0.5691 0.5813 0.6283 0.6469 0.6578 0.6821 0.7437 0.7753 0.9444 0.9565 1.0629 1.0950 1.1466 1.2074 1.3407 1.3546 1.5452 1.5637 1.5755 1.5848 1.8960 1.9145 2.0344 2.0567 2.1417 2.1987 2.3122 2.3711 2.5418 2.5767 2.8594 2.9176 2.9446 3.0294 3.7762 3.7838 4.4810 4.4866 4.5293 4.5405 5.6276 5.6408 7.7443 7.7650 8.0957 8.1003 8.7381 8.7480 9.4172 9.4720 9.6932 9.7027 k = 0.0000 0.0000 0.0961 ( 11301 PWs) bands (ev): -8.3476 -8.3475 -7.8467 -7.8435 -7.8422 -7.8403 -7.8373 -7.8368 -3.1177 -3.1173 -3.0947 -3.0939 -1.5499 -1.5465 -1.4598 -1.4568 -1.4071 -1.4039 -0.8133 -0.8095 0.3443 0.3676 0.5641 0.5792 0.6212 0.6426 0.6584 0.6894 0.7395 0.7829 0.9423 0.9562 1.0551 1.0870 1.1458 1.2150 1.3402 1.3585 1.5315 1.5591 1.5732 1.5886 1.8747 1.8920 2.0415 2.0758 2.1474 2.2253 2.3134 2.3848 2.5445 2.5904 2.8503 2.9232 2.9484 3.0546 3.7602 3.7713 4.4381 4.4483 4.5185 4.5325 5.6720 5.6880 7.7528 7.7788 8.1212 8.1257 8.7325 8.7461 9.4078 9.4800 9.6925 9.7057 k = 0.0000 0.0000 0.1201 ( 11297 PWs) bands (ev): -8.3437 -8.3436 -7.8487 -7.8457 -7.8433 -7.8419 -7.8385 -7.8376 -3.1182 -3.1177 -3.0948 -3.0937 -1.5513 -1.5474 -1.4600 -1.4561 -1.4067 -1.4029 -0.8099 -0.8053 0.3425 0.3711 0.5584 0.5758 0.6140 0.6377 0.6584 0.6972 0.7351 0.7910 0.9404 0.9543 1.0478 1.0748 1.1486 1.2204 1.3394 1.3629 1.5166 1.5535 1.5708 1.5927 1.8512 1.8687 2.0503 2.0968 2.1519 2.2522 2.3182 2.3979 2.5514 2.6077 2.8418 2.9225 2.9639 3.0826 3.7392 3.7549 4.3869 4.4031 4.5069 4.5237 5.7243 5.7422 7.7635 7.7940 8.1536 8.1571 8.7266 8.7444 9.3989 9.4875 9.6920 9.7095 k = 0.0000 0.0000 0.1441 ( 11313 PWs) bands (ev): -8.3390 -8.3388 -7.8511 -7.8483 -7.8452 -7.8441 -7.8394 -7.8381 -3.1187 -3.1182 -3.0949 -3.0935 -1.5528 -1.5487 -1.4602 -1.4554 -1.4060 -1.4018 -0.8059 -0.8004 0.3410 0.3746 0.5522 0.5710 0.6071 0.6323 0.6581 0.7054 0.7305 0.7996 0.9386 0.9505 1.0408 1.0610 1.1527 1.2235 1.3379 1.3680 1.5009 1.5474 1.5691 1.5970 1.8261 1.8457 2.0608 2.1189 2.1551 2.2756 2.3274 2.4104 2.5636 2.6286 2.8345 2.9220 2.9852 3.1131 3.7132 3.7343 4.3306 4.3542 4.4938 4.5133 5.7819 5.8008 7.7761 7.8096 8.1910 8.1944 8.7215 8.7437 9.3907 9.4945 9.6920 9.7144 k = 0.0000 0.0000 0.1681 ( 11329 PWs) bands (ev): -8.3334 -8.3332 -7.8540 -7.8512 -7.8478 -7.8469 -7.8402 -7.8384 -3.1193 -3.1187 -3.0951 -3.0932 -1.5543 -1.5502 -1.4604 -1.4546 -1.4051 -1.4007 -0.8015 -0.7951 0.3397 0.3779 0.5457 0.5649 0.6007 0.6264 0.6575 0.7135 0.7260 0.8084 0.9363 0.9450 1.0331 1.0485 1.1570 1.2244 1.3352 1.3734 1.4853 1.5408 1.5681 1.6016 1.8002 1.8231 2.0728 2.1413 2.1578 2.2900 2.3432 2.4227 2.5824 2.6528 2.8296 2.9244 3.0101 3.1455 3.6820 3.7096 4.2715 4.3038 4.4790 4.5012 5.8428 5.8621 7.7897 7.8252 8.2300 8.2370 8.7184 8.7455 9.3838 9.5009 9.6926 9.7208 k = 0.0000 0.0000 0.1921 ( 11321 PWs) bands (ev): -8.3270 -8.3268 -7.8574 -7.8545 -7.8509 -7.8502 -7.8408 -7.8386 -3.1199 -3.1193 -3.0953 -3.0929 -1.5560 -1.5519 -1.4606 -1.4537 -1.4040 -1.3994 -0.7967 -0.7895 0.3387 0.3809 0.5389 0.5575 0.5949 0.6202 0.6569 0.7180 0.7251 0.8173 0.9322 0.9394 1.0224 1.0399 1.1609 1.2231 1.3316 1.3782 1.4704 1.5341 1.5682 1.6063 1.7746 1.8007 2.0863 2.1576 2.1668 2.2953 2.3622 2.4374 2.6081 2.6794 2.8283 2.9309 3.0378 3.1795 3.6457 3.6807 4.2113 4.2533 4.4625 4.4871 5.9054 5.9243 7.8040 7.8404 8.2688 8.2816 8.7191 8.7516 9.3785 9.5068 9.6946 9.7289 k = 0.0000 0.0000 0.2161 ( 11334 PWs) bands (ev): -8.3198 -8.3196 -7.8613 -7.8582 -7.8545 -7.8540 -7.8414 -7.8388 -3.1207 -3.1198 -3.0956 -3.0926 -1.5576 -1.5538 -1.4608 -1.4527 -1.4028 -1.3982 -0.7918 -0.7839 0.3379 0.3835 0.5319 0.5491 0.5895 0.6141 0.6562 0.7141 0.7324 0.8261 0.9245 0.9354 1.0095 1.0349 1.1640 1.2198 1.3273 1.3809 1.4573 1.5271 1.5693 1.6111 1.7497 1.7784 2.1012 2.1619 2.1882 2.2958 2.3768 2.4584 2.6398 2.7074 2.8318 2.9420 3.0675 3.2145 3.6047 3.6479 4.1512 4.2037 4.4443 4.4713 5.9681 5.9862 7.8184 7.8549 8.3045 8.3242 8.7262 8.7643 9.3752 9.5122 9.6985 9.7391 k = 0.0000 0.0000 0.2401 ( 11352 PWs) bands (ev): -8.3119 -8.3117 -7.8655 -7.8622 -7.8584 -7.8580 -7.8421 -7.8391 -3.1214 -3.1204 -3.0959 -3.0922 -1.5593 -1.5557 -1.4610 -1.4516 -1.4014 -1.3968 -0.7870 -0.7783 0.3372 0.3857 0.5249 0.5398 0.5843 0.6084 0.6556 0.7090 0.7406 0.8347 0.9145 0.9316 0.9967 1.0313 1.1659 1.2144 1.3227 1.3796 1.4473 1.5198 1.5712 1.6158 1.7257 1.7566 2.1175 2.1666 2.2090 2.2951 2.3855 2.4868 2.6757 2.7356 2.8417 2.9577 3.0987 3.2500 3.5596 3.6113 4.0921 4.1555 4.4246 4.4537 6.0296 6.0470 7.8324 7.8683 8.3337 8.3608 8.7418 8.7862 9.3743 9.5174 9.7049 9.7514 k = 0.0000 0.0000 0.2641 ( 11362 PWs) bands (ev): -8.3033 -8.3031 -7.8701 -7.8665 -7.8627 -7.8622 -7.8429 -7.8395 -3.1222 -3.1209 -3.0962 -3.0918 -1.5612 -1.5575 -1.4612 -1.4503 -1.3999 -1.3954 -0.7823 -0.7730 0.3367 0.3872 0.5178 0.5299 0.5788 0.6038 0.6551 0.7038 0.7483 0.8430 0.9038 0.9266 0.9853 1.0284 1.1663 1.2072 1.3182 1.3728 1.4415 1.5121 1.5738 1.6202 1.7030 1.7358 2.1353 2.1727 2.2269 2.2956 2.3923 2.5198 2.7140 2.7629 2.8594 2.9778 3.1308 3.2854 3.5116 3.5719 4.0346 4.1088 4.4036 4.4345 6.0887 6.1060 7.8455 7.8805 8.3539 8.3884 8.7672 8.8187 9.3762 9.5228 9.7144 9.7662 k = 0.0000 0.0000 0.2882 ( 11360 PWs) bands (ev): -8.2939 -8.2938 -7.8751 -7.8712 -7.8672 -7.8666 -7.8439 -7.8400 -3.1230 -3.1214 -3.0965 -3.0915 -1.5632 -1.5591 -1.4614 -1.4490 -1.3983 -1.3940 -0.7780 -0.7681 0.3362 0.3881 0.5104 0.5201 0.5728 0.6006 0.6546 0.6986 0.7554 0.8508 0.8931 0.9196 0.9762 1.0258 1.1651 1.1984 1.3139 1.3607 1.4390 1.5044 1.5766 1.6239 1.6817 1.7165 2.1538 2.1800 2.2409 2.2993 2.4014 2.5549 2.7529 2.7892 2.8854 3.0014 3.1630 3.3198 3.4627 3.5308 3.9789 4.0633 4.3812 4.4138 6.1442 6.1626 7.8568 7.8913 8.3643 8.4060 8.8013 8.8614 9.3808 9.5290 9.7275 9.7836 k = 0.0000 0.0000 0.3122 ( 11370 PWs) bands (ev): -8.2840 -8.2838 -7.8803 -7.8762 -7.8720 -7.8711 -7.8449 -7.8408 -3.1237 -3.1219 -3.0968 -3.0911 -1.5655 -1.5604 -1.4616 -1.4476 -1.3967 -1.3926 -0.7742 -0.7637 0.3358 0.3882 0.5023 0.5111 0.5661 0.5991 0.6541 0.6936 0.7614 0.8576 0.8828 0.9109 0.9694 1.0233 1.1620 1.1883 1.3097 1.3448 1.4378 1.4968 1.5790 1.6259 1.6628 1.6994 2.1714 2.1883 2.2524 2.3074 2.4153 2.5904 2.7904 2.8163 2.9187 3.0275 3.1942 3.3501 3.4165 3.4900 3.9253 4.0189 4.3577 4.3917 6.1951 6.2163 7.8658 7.9005 8.3660 8.4151 8.8411 8.9115 9.3881 9.5364 9.7441 9.8037 k = 0.0000 0.0000 0.3362 ( 11382 PWs) bands (ev): -8.2734 -8.2732 -7.8857 -7.8815 -7.8768 -7.8758 -7.8462 -7.8417 -3.1245 -3.1224 -3.0972 -3.0907 -1.5678 -1.5614 -1.4619 -1.4461 -1.3949 -1.3912 -0.7710 -0.7601 0.3353 0.3875 0.4930 0.5036 0.5589 0.5990 0.6535 0.6889 0.7661 0.8622 0.8736 0.9018 0.9648 1.0208 1.1571 1.1769 1.3053 1.3266 1.4364 1.4898 1.5805 1.6236 1.6491 1.6855 2.1836 2.1992 2.2646 2.3208 2.4341 2.6249 2.8241 2.8471 2.9571 3.0547 3.2224 3.3557 3.3935 3.4554 3.8740 3.9751 4.3332 4.3685 6.2405 6.2666 7.8717 7.9081 8.3608 8.4178 8.8833 8.9652 9.3976 9.5456 9.7640 9.8260 k = 0.0000 0.0000 0.3602 ( 11382 PWs) bands (ev): -8.2623 -8.2621 -7.8914 -7.8870 -7.8818 -7.8807 -7.8476 -7.8429 -3.1251 -3.1228 -3.0975 -3.0904 -1.5701 -1.5622 -1.4621 -1.4446 -1.3932 -1.3897 -0.7685 -0.7573 0.3348 0.3858 0.4831 0.4973 0.5515 0.6003 0.6528 0.6848 0.7691 0.8599 0.8681 0.8956 0.9615 1.0183 1.1504 1.1646 1.2996 1.3082 1.4339 1.4838 1.5801 1.6144 1.6428 1.6759 2.1885 2.2119 2.2808 2.3407 2.4566 2.6569 2.8540 2.8822 2.9982 3.0816 3.2408 3.3322 3.3874 3.4473 3.8255 3.9318 4.3079 4.3442 6.2800 6.3124 7.8742 7.9139 8.3505 8.4160 8.9248 9.0188 9.4087 9.5566 9.7858 9.8468 k = 0.0000 0.0000 0.3842 ( 11374 PWs) bands (ev): -8.2507 -8.2504 -7.8971 -7.8926 -7.8868 -7.8856 -7.8493 -7.8443 -3.1258 -3.1231 -3.0979 -3.0901 -1.5723 -1.5628 -1.4623 -1.4431 -1.3915 -1.3883 -0.7668 -0.7554 0.3342 0.3833 0.4733 0.4917 0.5441 0.6024 0.6517 0.6813 0.7703 0.8499 0.8657 0.8946 0.9592 1.0153 1.1413 1.1525 1.2844 1.2984 1.4303 1.4787 1.5770 1.6032 1.6399 1.6711 2.1897 2.2226 2.3019 2.3682 2.4806 2.6844 2.8830 2.9192 3.0384 3.1074 3.2387 3.3308 3.3639 3.4653 3.7813 3.8889 4.2818 4.3191 6.3130 6.3532 7.8732 7.9176 8.3366 8.4110 8.9639 9.0692 9.4205 9.5692 9.8036 9.8201 k = 0.0000 0.0000 0.4082 ( 11376 PWs) bands (ev): -8.2386 -8.2383 -7.9029 -7.8984 -7.8919 -7.8905 -7.8512 -7.8460 -3.1263 -3.1234 -3.0982 -3.0898 -1.5745 -1.5633 -1.4625 -1.4416 -1.3897 -1.3869 -0.7660 -0.7544 0.3334 0.3797 0.4638 0.4864 0.5368 0.6053 0.6498 0.6789 0.7697 0.8373 0.8636 0.8968 0.9577 1.0111 1.1286 1.1424 1.2650 1.2930 1.4258 1.4743 1.5707 1.5938 1.6372 1.6707 2.1895 2.2307 2.3272 2.4022 2.5043 2.7045 2.9123 2.9561 3.0718 3.1345 3.2261 3.3444 3.3494 3.4834 3.7441 3.8465 4.2550 4.2932 6.3392 6.3880 7.8691 7.9189 8.3197 8.4032 8.9996 9.1145 9.4325 9.5824 9.7944 9.8169 k = 0.0000 0.0000 0.4322 ( 11368 PWs) bands (ev): -8.2261 -8.2257 -7.9088 -7.9042 -7.8969 -7.8955 -7.8535 -7.8481 -3.1268 -3.1237 -3.0985 -3.0896 -1.5764 -1.5635 -1.4627 -1.4402 -1.3881 -1.3855 -0.7660 -0.7544 0.3323 0.3752 0.4549 0.4813 0.5298 0.6084 0.6468 0.6779 0.7676 0.8237 0.8630 0.8994 0.9574 1.0044 1.1138 1.1343 1.2467 1.2877 1.4209 1.4702 1.5624 1.5867 1.6348 1.6730 2.1889 2.2375 2.3555 2.4402 2.5265 2.7142 2.9418 2.9919 3.0950 3.1663 3.2199 3.3371 3.3723 3.4927 3.7184 3.8054 4.2276 4.2667 6.3582 6.4162 7.8624 7.9179 8.3001 8.3924 9.0320 9.1538 9.4443 9.5951 9.7831 9.8154 k = 0.0000 0.0000 0.4563 ( 11372 PWs) bands (ev): -8.2132 -8.2127 -7.9146 -7.9101 -7.9019 -7.9005 -7.8560 -7.8505 -3.1272 -3.1239 -3.0988 -3.0894 -1.5782 -1.5637 -1.4629 -1.4388 -1.3865 -1.3842 -0.7669 -0.7554 0.3311 0.3697 0.4466 0.4763 0.5230 0.6116 0.6423 0.6784 0.7644 0.8103 0.8640 0.9009 0.9587 0.9935 1.1001 1.1273 1.2304 1.2825 1.4160 1.4663 1.5538 1.5809 1.6326 1.6768 2.1888 2.2442 2.3849 2.4770 2.5491 2.7119 2.9708 3.0261 3.1163 3.1924 3.2313 3.3411 3.3934 3.4906 3.7080 3.7671 4.1997 4.2397 6.3696 6.4372 7.8538 7.9148 8.2776 8.3782 9.0619 9.1872 9.4564 9.6067 9.7811 9.8156 k = 0.0000 0.0000 0.4803 ( 11380 PWs) bands (ev): -8.2001 -8.1994 -7.9204 -7.9160 -7.9068 -7.9054 -7.8589 -7.8533 -3.1275 -3.1240 -3.0991 -3.0893 -1.5798 -1.5637 -1.4630 -1.4375 -1.3849 -1.3829 -0.7687 -0.7573 0.3296 0.3635 0.4387 0.4714 0.5165 0.6145 0.6363 0.6803 0.7607 0.7979 0.8660 0.9007 0.9621 0.9770 1.0899 1.1211 1.2167 1.2776 1.4114 1.4622 1.5457 1.5762 1.6305 1.6816 2.1894 2.2514 2.4124 2.5024 2.5797 2.6995 2.9993 3.0593 3.1437 3.2045 3.2635 3.3494 3.4090 3.4838 3.7073 3.7380 4.1713 4.2123 6.3733 6.4503 7.8440 7.9103 8.2518 8.3602 9.0901 9.2157 9.4693 9.6172 9.7873 9.8242 k = 0.0000 0.0000 0.5043 ( 11400 PWs) bands (ev): -8.1867 -8.1859 -7.9261 -7.9218 -7.9117 -7.9102 -7.8622 -7.8564 -3.1277 -3.1240 -3.0994 -3.0893 -1.5812 -1.5637 -1.4631 -1.4363 -1.3835 -1.3817 -0.7711 -0.7600 0.3279 0.3565 0.4311 0.4665 0.5105 0.6168 0.6288 0.6831 0.7566 0.7873 0.8684 0.8991 0.9551 0.9676 1.0841 1.1154 1.2056 1.2734 1.4072 1.4582 1.5382 1.5723 1.6282 1.6870 2.1910 2.2596 2.4334 2.5104 2.6231 2.6831 3.0278 3.0933 3.1764 3.2179 3.2940 3.3528 3.4215 3.4850 3.6917 3.7398 4.1425 4.1845 6.3694 6.4552 7.8335 7.9051 8.2223 8.3379 9.1177 9.2410 9.4834 9.6281 9.7994 9.8434 k = 0.0000 0.0000 0.5283 ( 11400 PWs) bands (ev): -8.1730 -8.1721 -7.9317 -7.9275 -7.9164 -7.9148 -7.8658 -7.8600 -3.1278 -3.1240 -3.0996 -3.0893 -1.5823 -1.5636 -1.4631 -1.4352 -1.3822 -1.3805 -0.7742 -0.7634 0.3261 0.3491 0.4235 0.4617 0.5048 0.6159 0.6225 0.6861 0.7525 0.7791 0.8702 0.8972 0.9297 0.9749 1.0822 1.1102 1.1972 1.2703 1.4036 1.4541 1.5314 1.5695 1.6257 1.6929 2.1938 2.2687 2.4412 2.5051 2.6716 2.6754 3.0569 3.1288 3.2069 3.2384 3.2985 3.3619 3.4395 3.4966 3.6730 3.7592 4.1133 4.1565 6.3581 6.4517 7.8226 7.8998 8.1889 8.3115 9.1458 9.2648 9.4991 9.6406 9.8163 9.8719 k = 0.0000 0.0000 0.5523 ( 11396 PWs) bands (ev): -8.1593 -8.1582 -7.9371 -7.9330 -7.9209 -7.9193 -7.8698 -7.8640 -3.1279 -3.1240 -3.0998 -3.0893 -1.5831 -1.5635 -1.4629 -1.4344 -1.3810 -1.3794 -0.7779 -0.7675 0.3241 0.3415 0.4155 0.4571 0.4998 0.6064 0.6227 0.6885 0.7482 0.7737 0.8706 0.8954 0.9042 0.9835 1.0831 1.1054 1.1915 1.2683 1.4004 1.4501 1.5250 1.5675 1.6230 1.6990 2.1977 2.2784 2.4327 2.4887 2.6775 2.7284 3.0859 3.1649 3.2192 3.2614 3.2946 3.3778 3.4640 3.5164 3.6645 3.7823 4.0837 4.1285 6.3398 6.4399 7.8115 7.8948 8.1518 8.2815 9.1750 9.2889 9.5163 9.6557 9.8372 9.9074 k = 0.0000 0.0000 0.5763 ( 11410 PWs) bands (ev): -8.1455 -8.1443 -7.9423 -7.9383 -7.9253 -7.9236 -7.8743 -7.8684 -3.1278 -3.1239 -3.0999 -3.0895 -1.5837 -1.5635 -1.4627 -1.4337 -1.3799 -1.3784 -0.7819 -0.7720 0.3221 0.3337 0.4069 0.4526 0.4952 0.5939 0.6241 0.6897 0.7435 0.7711 0.8685 0.8766 0.8992 0.9927 1.0859 1.1010 1.1881 1.2677 1.3978 1.4463 1.5189 1.5663 1.6203 1.7052 2.2022 2.2878 2.4117 2.4633 2.6973 2.7829 3.1095 3.1923 3.2098 3.2793 3.3203 3.3862 3.4944 3.5442 3.6671 3.8063 4.0540 4.1006 6.3153 6.4202 7.8001 7.8904 8.1118 8.2490 9.2058 9.3145 9.5349 9.6735 9.8612 9.9477 k = 0.0000 0.0000 0.6003 ( 11406 PWs) bands (ev): -8.1317 -8.1303 -7.9472 -7.9435 -7.9294 -7.9276 -7.8791 -7.8733 -3.1277 -3.1238 -3.1000 -3.0897 -1.5840 -1.5635 -1.4622 -1.4333 -1.3789 -1.3775 -0.7863 -0.7769 0.3202 0.3261 0.3976 0.4485 0.4913 0.5798 0.6254 0.6894 0.7385 0.7704 0.8511 0.8685 0.9022 1.0018 1.0902 1.0976 1.1868 1.2686 1.3958 1.4429 1.5130 1.5657 1.6178 1.7115 2.2068 2.2947 2.3842 2.4356 2.7256 2.8351 3.1101 3.1846 3.2387 3.2976 3.3502 3.3961 3.5290 3.5782 3.6783 3.8296 4.0242 4.0732 6.2855 6.3932 7.7880 7.8860 8.0706 8.2151 9.2383 9.3423 9.5547 9.6936 9.8871 9.9910 k = 0.0000 0.0000 0.6244 ( 11408 PWs) bands (ev): -8.1179 -8.1164 -7.9519 -7.9484 -7.9333 -7.9314 -7.8843 -7.8786 -3.1275 -3.1236 -3.1000 -3.0900 -1.5840 -1.5636 -1.4616 -1.4331 -1.3780 -1.3767 -0.7908 -0.7820 0.3180 0.3194 0.3875 0.4445 0.4879 0.5647 0.6266 0.6877 0.7332 0.7695 0.8320 0.8663 0.9065 1.0098 1.0943 1.0972 1.1872 1.2707 1.3945 1.4400 1.5071 1.5651 1.6160 1.7177 2.2092 2.2940 2.3560 2.4145 2.7560 2.8803 3.0834 3.1914 3.2678 3.3155 3.3749 3.4192 3.5655 3.6154 3.6953 3.8512 3.9947 4.0471 6.2516 6.3600 7.7748 7.8800 8.0308 8.1814 9.2725 9.3727 9.5754 9.7151 9.9137 10.0354 k = 0.0000 0.0000 0.6484 ( 11412 PWs) bands (ev): -8.1043 -8.1026 -7.9563 -7.9530 -7.9369 -7.9348 -7.8899 -7.8843 -3.1273 -3.1235 -3.1000 -3.0904 -1.5838 -1.5639 -1.4608 -1.4332 -1.3772 -1.3760 -0.7953 -0.7871 0.3116 0.3176 0.3770 0.4405 0.4849 0.5492 0.6278 0.6849 0.7277 0.7656 0.8199 0.8649 0.9114 1.0154 1.0951 1.1035 1.1890 1.2739 1.3939 1.4380 1.5012 1.5640 1.6155 1.7236 2.2056 2.2799 2.3340 2.4081 2.7836 2.9070 3.0620 3.1937 3.2936 3.3385 3.4007 3.4489 3.6026 3.6535 3.7157 3.8695 3.9657 4.0232 6.2148 6.3217 7.7601 7.8691 7.9967 8.1494 9.3081 9.4055 9.5963 9.7368 9.9394 10.0786 k = 0.0000 0.0000 0.6724 ( 11388 PWs) bands (ev): -8.0908 -8.0890 -7.9605 -7.9574 -7.9401 -7.9379 -7.8959 -7.8904 -3.1270 -3.1234 -3.0998 -3.0908 -1.5833 -1.5643 -1.4598 -1.4336 -1.3765 -1.3754 -0.7996 -0.7922 0.3055 0.3170 0.3662 0.4360 0.4824 0.5340 0.6288 0.6813 0.7224 0.7574 0.8160 0.8640 0.9168 1.0179 1.0977 1.1115 1.1924 1.2778 1.3943 1.4371 1.4952 1.5618 1.6171 1.7291 2.1914 2.2541 2.3245 2.4163 2.8036 2.8996 3.0702 3.1876 3.3208 3.3648 3.4289 3.4785 3.6392 3.6905 3.7380 3.8828 3.9383 4.0039 6.1766 6.2798 7.7437 7.8490 7.9738 8.1202 9.3447 9.4406 9.6168 9.7574 9.9631 10.1177 k = 0.0000 0.0000 0.6964 ( 11380 PWs) bands (ev): -8.0777 -8.0757 -7.9643 -7.9616 -7.9430 -7.9406 -7.9021 -7.8968 -3.1266 -3.1232 -3.0996 -3.0913 -1.5826 -1.5648 -1.4585 -1.4342 -1.3759 -1.3749 -0.8037 -0.7970 0.3001 0.3169 0.3557 0.4306 0.4802 0.5198 0.6297 0.6768 0.7174 0.7470 0.8176 0.8633 0.9226 1.0172 1.1021 1.1199 1.1971 1.2816 1.3956 1.4377 1.4890 1.5579 1.6213 1.7338 2.1674 2.2229 2.3286 2.4335 2.8102 2.8686 3.1015 3.1816 3.3488 3.3902 3.4571 3.5066 3.6738 3.7248 3.7599 3.8886 3.9139 3.9919 6.1386 6.2357 7.7256 7.8192 7.9634 8.0948 9.3821 9.4775 9.6359 9.7755 9.9837 10.1486 k = 0.0000 0.0000 0.7204 ( 11378 PWs) bands (ev): -8.0649 -8.0628 -7.9680 -7.9655 -7.9455 -7.9429 -7.9085 -7.9035 -3.1263 -3.1232 -3.0993 -3.0919 -1.5817 -1.5656 -1.4570 -1.4351 -1.3754 -1.3744 -0.8074 -0.8016 0.2956 0.3172 0.3459 0.4236 0.4784 0.5077 0.6306 0.6716 0.7131 0.7370 0.8217 0.8628 0.9288 1.0140 1.1077 1.1280 1.2036 1.2848 1.3980 1.4400 1.4827 1.5522 1.6283 1.7375 2.1389 2.1903 2.3425 2.4560 2.7930 2.8386 3.1391 3.1822 3.3752 3.4132 3.4833 3.5332 3.7046 3.7541 3.7782 3.8831 3.9000 3.9885 6.1025 6.1913 7.7067 7.7845 7.9617 8.0733 9.4198 9.5157 9.6523 9.7896 10.0005 10.1665 k = 0.0000 0.0000 0.7444 ( 11378 PWs) bands (ev): -8.0527 -8.0505 -7.9714 -7.9694 -7.9476 -7.9448 -7.9150 -7.9102 -3.1259 -3.1231 -3.0990 -3.0925 -1.5806 -1.5665 -1.4554 -1.4363 -1.3750 -1.3741 -0.8107 -0.8057 0.2922 0.3173 0.3383 0.4147 0.4770 0.4981 0.6316 0.6661 0.7097 0.7285 0.8268 0.8620 0.9354 1.0090 1.1137 1.1346 1.2119 1.2866 1.4018 1.4443 1.4760 1.5447 1.6378 1.7395 2.1109 2.1587 2.3629 2.4822 2.7533 2.8159 3.1754 3.1913 3.3981 3.4333 3.5065 3.5583 3.7276 3.7753 3.7910 3.8693 3.9029 3.9909 6.0698 6.1481 7.6879 7.7496 7.9648 8.0556 9.4574 9.5544 9.6650 9.7986 10.0137 10.1682 k = 0.0000 0.0000 0.7684 ( 11394 PWs) bands (ev): -8.0411 -8.0389 -7.9748 -7.9732 -7.9491 -7.9462 -7.9213 -7.9169 -3.1254 -3.1232 -3.0985 -3.0932 -1.5793 -1.5676 -1.4535 -1.4377 -1.3746 -1.3739 -0.8133 -0.8093 0.2899 0.3149 0.3350 0.4041 0.4760 0.4910 0.6327 0.6603 0.7073 0.7216 0.8321 0.8608 0.9424 1.0029 1.1196 1.1391 1.2218 1.2865 1.4070 1.4506 1.4690 1.5359 1.6496 1.7393 2.0862 2.1292 2.3880 2.5109 2.7072 2.7897 3.2032 3.2106 3.4171 3.4498 3.5271 3.5810 3.7355 3.7861 3.8014 3.8622 3.9162 3.9947 6.0422 6.1080 7.6707 7.7175 7.9703 8.0410 9.4943 9.5924 9.6731 9.8013 10.0243 10.1560 k = 0.0000 0.0000 0.7924 ( 11404 PWs) bands (ev): -8.0303 -8.0283 -7.9781 -7.9770 -7.9501 -7.9471 -7.9271 -7.9232 -3.1250 -3.1233 -3.0980 -3.0939 -1.5779 -1.5689 -1.4516 -1.4393 -1.3743 -1.3737 -0.8154 -0.8123 0.2890 0.3097 0.3370 0.3925 0.4756 0.4859 0.6341 0.6548 0.7058 0.7163 0.8372 0.8591 0.9498 0.9960 1.1252 1.1415 1.2327 1.2841 1.4134 1.4579 1.4625 1.5258 1.6631 1.7362 2.0672 2.1031 2.4171 2.5413 2.6612 2.7586 3.2219 3.2352 3.4325 3.4615 3.5464 3.5992 3.7300 3.7800 3.8187 3.8645 3.9346 3.9972 6.0212 6.0725 7.6566 7.6900 7.9771 8.0289 9.5298 9.6263 9.6780 9.7972 10.0338 10.1356 k = 0.0000 0.0000 0.8165 ( 11402 PWs) bands (ev): -8.0209 -8.0192 -7.9815 -7.9810 -7.9504 -7.9478 -7.9318 -7.9286 -3.1247 -3.1235 -3.0974 -3.0946 -1.5765 -1.5703 -1.4495 -1.4412 -1.3740 -1.3736 -0.8167 -0.8146 0.2893 0.3038 0.3423 0.3807 0.4758 0.4823 0.6359 0.6497 0.7053 0.7122 0.8421 0.8568 0.9574 0.9887 1.1303 1.1419 1.2440 1.2795 1.4209 1.4534 1.4691 1.5148 1.6779 1.7298 2.0551 2.0812 2.4496 2.5694 2.6206 2.7241 3.2392 3.2527 3.4453 3.4676 3.5652 3.6099 3.7228 3.7644 3.8379 3.8690 3.9536 3.9967 6.0080 6.0431 7.6468 7.6683 7.9846 8.0185 9.5633 9.6441 9.6902 9.7861 10.0439 10.1125 k = 0.0000 0.0000 0.8405 ( 11404 PWs) bands (ev): -8.0136 -8.0125 -7.9847 -7.9846 -7.9501 -7.9484 -7.9346 -7.9328 -3.1243 -3.1237 -3.0967 -3.0953 -1.5749 -1.5718 -1.4474 -1.4432 -1.3738 -1.3736 -0.8173 -0.8162 0.2911 0.2984 0.3498 0.3693 0.4765 0.4797 0.6384 0.6452 0.7057 0.7091 0.8465 0.8539 0.9653 0.9810 1.1346 1.1407 1.2548 1.2729 1.4289 1.4455 1.4798 1.5032 1.6930 1.7200 2.0508 2.0646 2.4851 2.5607 2.6203 2.6882 3.2529 3.2612 3.4558 3.4681 3.5834 3.6098 3.7229 3.7472 3.8539 3.8698 3.9703 3.9922 6.0034 6.0213 7.6425 7.6530 7.9925 8.0092 9.5934 9.6376 9.7165 9.7682 10.0561 10.0904 k = 0.0000 0.0000 0.8645 ( 11420 PWs) bands (ev): -8.0102 -8.0102 -7.9862 -7.9862 -7.9492 -7.9492 -7.9350 -7.9350 -3.1240 -3.1240 -3.0960 -3.0960 -1.5733 -1.5733 -1.4452 -1.4452 -1.3737 -1.3737 -0.8171 -0.8171 0.2941 0.2941 0.3589 0.3589 0.4778 0.4778 0.6414 0.6414 0.7070 0.7070 0.8505 0.8505 0.9731 0.9731 1.1381 1.1381 1.2645 1.2645 1.4372 1.4372 1.4914 1.4914 1.7074 1.7074 2.0541 2.0541 2.5231 2.5231 2.6525 2.6525 3.2609 3.2609 3.4637 3.4637 3.5995 3.5995 3.7321 3.7321 3.8649 3.8649 3.9834 3.9834 6.0078 6.0078 7.6445 7.6445 8.0006 8.0006 9.6189 9.6189 9.7443 9.7443 10.0714 10.0714 k = 0.0000 0.0000 0.8645 ( 11420 PWs) bands (ev): -8.0102 -8.0102 -7.9862 -7.9862 -7.9492 -7.9492 -7.9350 -7.9350 -3.1240 -3.1240 -3.0960 -3.0960 -1.5733 -1.5733 -1.4452 -1.4452 -1.3737 -1.3737 -0.8171 -0.8171 0.2941 0.2941 0.3589 0.3589 0.4778 0.4778 0.6414 0.6414 0.7070 0.7070 0.8505 0.8505 0.9731 0.9731 1.1381 1.1381 1.2645 1.2645 1.4372 1.4372 1.4914 1.4914 1.7074 1.7074 2.0541 2.0541 2.5231 2.5231 2.6525 2.6525 3.2609 3.2609 3.4637 3.4637 3.5995 3.5995 3.7321 3.7321 3.8649 3.8649 3.9834 3.9834 6.0078 6.0078 7.6445 7.6445 8.0006 8.0006 9.6189 9.6189 9.7443 9.7443 10.0714 10.0714 k =-0.0140 0.0197 0.8645 ( 11398 PWs) bands (ev): -8.0103 -8.0101 -7.9866 -7.9860 -7.9495 -7.9489 -7.9351 -7.9348 -3.1245 -3.1235 -3.0965 -3.0956 -1.5743 -1.5727 -1.4466 -1.4440 -1.3741 -1.3736 -0.8176 -0.8159 0.2904 0.2988 0.3516 0.3670 0.4758 0.4803 0.6372 0.6455 0.6974 0.7157 0.8493 0.8526 0.9699 0.9790 1.1304 1.1466 1.2625 1.2674 1.4340 1.4410 1.4886 1.4951 1.7069 1.7082 2.0520 2.0574 2.5183 2.5265 2.6492 2.6563 3.2578 3.2616 3.4599 3.4653 3.5970 3.5987 3.7284 3.7314 3.8602 3.8671 3.9782 3.9877 6.0081 6.0118 7.6462 7.6477 7.9981 8.0091 9.6105 9.6287 9.7372 9.7561 10.0666 10.0736 k =-0.0279 0.0394 0.8645 ( 11402 PWs) bands (ev): -8.0103 -8.0100 -7.9871 -7.9860 -7.9496 -7.9485 -7.9353 -7.9348 -3.1251 -3.1232 -3.0971 -3.0954 -1.5756 -1.5725 -1.4481 -1.4429 -1.3747 -1.3737 -0.8172 -0.8138 0.2876 0.3042 0.3453 0.3758 0.4741 0.4830 0.6327 0.6493 0.6874 0.7229 0.8491 0.8559 0.9695 0.9872 1.1232 1.1556 1.2611 1.2712 1.4312 1.4451 1.4866 1.4997 1.7067 1.7092 2.0509 2.0616 2.5122 2.5285 2.6462 2.6603 3.2519 3.2600 3.4541 3.4639 3.5917 3.5946 3.7207 3.7259 3.8535 3.8668 3.9722 3.9908 6.0124 6.0199 7.6529 7.6560 8.0012 8.0235 9.6006 9.6412 9.7369 9.7708 10.0592 10.0731 k =-0.0419 0.0591 0.8645 ( 11400 PWs) bands (ev): -8.0103 -8.0099 -7.9878 -7.9862 -7.9496 -7.9480 -7.9356 -7.9348 -3.1258 -3.1229 -3.0978 -3.0952 -1.5772 -1.5727 -1.4497 -1.4419 -1.3756 -1.3742 -0.8159 -0.8111 0.2859 0.3100 0.3402 0.3852 0.4727 0.4863 0.6283 0.6522 0.6779 0.7282 0.8498 0.8606 0.9719 0.9972 1.1167 1.1650 1.2604 1.2760 1.4292 1.4496 1.4855 1.5052 1.7067 1.7106 2.0509 2.0670 2.5049 2.5293 2.6437 2.6645 3.2430 3.2563 3.4466 3.4592 3.5843 3.5871 3.7094 3.7156 3.8452 3.8642 3.9656 3.9926 6.0207 6.0321 7.6644 7.6689 8.0097 8.0432 9.5865 9.6559 9.7449 9.7877 10.0502 10.0700 k =-0.0559 0.0788 0.8645 ( 11408 PWs) bands (ev): -8.0104 -8.0099 -7.9888 -7.9867 -7.9495 -7.9473 -7.9357 -7.9346 -3.1266 -3.1228 -3.0985 -3.0952 -1.5791 -1.5733 -1.4515 -1.4411 -1.3767 -1.3748 -0.8139 -0.8079 0.2853 0.3154 0.3371 0.3949 0.4716 0.4900 0.6238 0.6533 0.6705 0.7312 0.8518 0.8670 0.9767 1.0085 1.1109 1.1745 1.2605 1.2821 1.4278 1.4542 1.4854 1.5116 1.7071 1.7123 2.0520 2.0734 2.4964 2.5289 2.6416 2.6687 3.2307 3.2504 3.4375 3.4506 3.5749 3.5769 3.6949 3.7009 3.8357 3.8593 3.9584 3.9929 6.0327 6.0482 7.6803 7.6863 8.0228 8.0675 9.5662 9.6700 9.7602 9.8076 10.0402 10.0650 k =-0.0698 0.0985 0.8645 ( 11392 PWs) bands (ev): -8.0106 -8.0101 -7.9900 -7.9875 -7.9492 -7.9466 -7.9356 -7.9343 -3.1274 -3.1226 -3.0992 -3.0952 -1.5812 -1.5742 -1.4533 -1.4403 -1.3780 -1.3757 -0.8112 -0.8043 0.2859 0.3191 0.3373 0.4049 0.4708 0.4942 0.6193 0.6498 0.6678 0.7320 0.8550 0.8751 0.9835 1.0207 1.1059 1.1840 1.2614 1.2898 1.4273 1.4591 1.4864 1.5189 1.7078 1.7145 2.0541 2.0808 2.4870 2.5275 2.6399 2.6729 3.2145 3.2424 3.4267 3.4382 3.5614 3.5673 3.6770 3.6827 3.8257 3.8527 3.9506 3.9919 6.0483 6.0679 7.7000 7.7076 8.0396 8.0955 9.5389 9.6773 9.7802 9.8330 10.0289 10.0597 k =-0.0838 0.1182 0.8645 ( 11386 PWs) bands (ev): -8.0111 -8.0106 -7.9914 -7.9887 -7.9486 -7.9456 -7.9351 -7.9336 -3.1284 -3.1226 -3.1000 -3.0955 -1.5835 -1.5754 -1.4552 -1.4397 -1.3797 -1.3768 -0.8080 -0.8005 0.2875 0.3201 0.3417 0.4149 0.4703 0.4990 0.6148 0.6431 0.6690 0.7309 0.8597 0.8849 0.9916 1.0333 1.1016 1.1930 1.2631 1.2995 1.4278 1.4640 1.4887 1.5271 1.7088 1.7172 2.0571 2.0892 2.4767 2.5253 2.6385 2.6767 3.1942 3.2322 3.4121 3.4239 3.5443 3.5584 3.6556 3.6627 3.8154 3.8447 3.9422 3.9894 6.0669 6.0909 7.7232 7.7323 8.0591 8.1260 9.5041 9.6699 9.8024 9.8652 10.0095 10.0585 k =-0.0977 0.1379 0.8645 ( 11390 PWs) bands (ev): -8.0120 -8.0115 -7.9933 -7.9903 -7.9478 -7.9445 -7.9341 -7.9326 -3.1294 -3.1226 -3.1008 -3.0958 -1.5859 -1.5770 -1.4572 -1.4391 -1.3816 -1.3780 -0.8043 -0.7966 0.2902 0.3200 0.3485 0.4246 0.4703 0.5042 0.6104 0.6360 0.6712 0.7284 0.8656 0.8961 1.0004 1.0460 1.0982 1.2011 1.2659 1.3114 1.4292 1.4687 1.4924 1.5363 1.7101 1.7205 2.0612 2.0987 2.4657 2.5225 2.6374 2.6801 3.1696 3.2196 3.3914 3.4106 3.5246 3.5497 3.6312 3.6421 3.8050 3.8357 3.9331 3.9857 6.0884 6.1169 7.7491 7.7597 8.0801 8.1575 9.4615 9.6435 9.8223 9.8970 9.9739 10.0611 k =-0.1117 0.1576 0.8645 ( 11386 PWs) bands (ev): -8.0133 -8.0130 -7.9955 -7.9924 -7.9465 -7.9430 -7.9327 -7.9310 -3.1304 -3.1227 -3.1017 -3.0962 -1.5883 -1.5788 -1.4592 -1.4385 -1.3838 -1.3794 -0.8004 -0.7930 0.2938 0.3200 0.3565 0.4335 0.4711 0.5099 0.6060 0.6296 0.6737 0.7250 0.8727 0.9086 1.0092 1.0582 1.0958 1.2083 1.2697 1.3255 1.4318 1.4731 1.4980 1.5466 1.7118 1.7247 2.0662 2.1091 2.4543 2.5192 2.6366 2.6829 3.1410 3.2045 3.3658 3.3975 3.5030 3.5409 3.6055 3.6212 3.7947 3.8261 3.9232 3.9807 6.1123 6.1452 7.7771 7.7893 8.1015 8.1885 9.4109 9.5992 9.8260 9.8714 9.9704 10.0555 k =-0.1257 0.1772 0.8645 ( 11370 PWs) bands (ev): -8.0153 -8.0149 -7.9981 -7.9949 -7.9449 -7.9412 -7.9306 -7.9289 -3.1315 -3.1227 -3.1025 -3.0968 -1.5908 -1.5809 -1.4613 -1.4381 -1.3863 -1.3809 -0.7965 -0.7897 0.2984 0.3207 0.3648 0.4410 0.4733 0.5162 0.6017 0.6241 0.6759 0.7214 0.8809 0.9219 1.0177 1.0697 1.0946 1.2145 1.2745 1.3415 1.4356 1.4770 1.5055 1.5580 1.7138 1.7300 2.0721 2.1205 2.4428 2.5156 2.6360 2.6849 3.1087 3.1866 3.3369 3.3830 3.4803 3.5315 3.5801 3.6005 3.7845 3.8163 3.9124 3.9747 6.1382 6.1755 7.8065 7.8204 8.1223 8.2176 9.3527 9.5408 9.7858 9.7934 10.0010 10.0586 k =-0.1257 0.1772 0.8645 ( 11370 PWs) bands (ev): -8.0153 -8.0149 -7.9981 -7.9949 -7.9449 -7.9412 -7.9306 -7.9289 -3.1315 -3.1227 -3.1025 -3.0968 -1.5908 -1.5809 -1.4613 -1.4381 -1.3863 -1.3809 -0.7965 -0.7897 0.2984 0.3207 0.3648 0.4410 0.4733 0.5162 0.6017 0.6241 0.6759 0.7214 0.8809 0.9219 1.0177 1.0697 1.0946 1.2145 1.2745 1.3415 1.4356 1.4770 1.5055 1.5580 1.7138 1.7300 2.0721 2.1205 2.4428 2.5156 2.6360 2.6849 3.1087 3.1866 3.3369 3.3830 3.4803 3.5315 3.5801 3.6005 3.7845 3.8163 3.9124 3.9747 6.1382 6.1755 7.8065 7.8204 8.1223 8.2176 9.3527 9.5408 9.7858 9.7934 10.0010 10.0586 k =-0.1355 0.1911 0.8475 ( 11378 PWs) bands (ev): -8.0152 -8.0146 -8.0030 -7.9996 -7.9447 -7.9413 -7.9274 -7.9239 -3.1323 -3.1227 -3.1032 -3.0971 -1.5920 -1.5830 -1.4626 -1.4377 -1.3883 -1.3822 -0.7940 -0.7873 0.3002 0.3182 0.3721 0.4470 0.4759 0.5229 0.5981 0.6214 0.6779 0.7163 0.8922 0.9334 1.0203 1.0794 1.0961 1.2176 1.2807 1.3526 1.4367 1.4749 1.5144 1.5716 1.7129 1.7304 2.0833 2.1274 2.4144 2.5319 2.6144 2.7079 3.0960 3.1812 3.3025 3.3601 3.4514 3.5204 3.5606 3.5951 3.7689 3.8170 3.9058 3.9731 6.1586 6.2023 7.8328 7.8429 8.1329 8.2370 9.3102 9.4989 9.7166 9.7358 10.0056 10.0578 k =-0.1454 0.2050 0.8304 ( 11392 PWs) bands (ev): -8.0158 -8.0150 -8.0078 -8.0042 -7.9462 -7.9434 -7.9213 -7.9171 -3.1331 -3.1228 -3.1040 -3.0974 -1.5933 -1.5850 -1.4640 -1.4372 -1.3904 -1.3835 -0.7912 -0.7848 0.3030 0.3166 0.3798 0.4514 0.4797 0.5293 0.5953 0.6198 0.6800 0.7126 0.9044 0.9440 1.0225 1.0819 1.1045 1.2179 1.2880 1.3632 1.4399 1.4726 1.5245 1.5853 1.7067 1.7355 2.0974 2.1378 2.3851 2.5492 2.5962 2.7282 3.0783 3.1704 3.2700 3.3344 3.4229 3.5032 3.5441 3.5877 3.7509 3.8187 3.8965 3.9716 6.1820 6.2337 7.8604 7.8713 8.1433 8.2559 9.2599 9.4511 9.6469 9.6584 10.0061 10.0599 k =-0.1552 0.2189 0.8134 ( 11396 PWs) bands (ev): -8.0170 -8.0160 -8.0125 -8.0086 -7.9482 -7.9459 -7.9142 -7.9096 -3.1339 -3.1229 -3.1047 -3.0977 -1.5948 -1.5869 -1.4655 -1.4366 -1.3926 -1.3848 -0.7882 -0.7822 0.3065 0.3162 0.3877 0.4546 0.4845 0.5344 0.5936 0.6191 0.6822 0.7109 0.9171 0.9534 1.0242 1.0807 1.1166 1.2159 1.2961 1.3726 1.4458 1.4715 1.5352 1.5990 1.7005 1.7409 2.1137 2.1515 2.3578 2.5568 2.5898 2.7442 3.0557 3.1541 3.2411 3.3077 3.3947 3.4813 3.5283 3.5779 3.7321 3.8212 3.8854 3.9701 6.2081 6.2683 7.8885 7.9053 8.1538 8.2746 9.2017 9.3951 9.5763 9.5850 10.0049 10.0666 k =-0.1651 0.2328 0.7964 ( 11390 PWs) bands (ev): -8.0189 -8.0180 -8.0161 -8.0124 -7.9504 -7.9486 -7.9068 -7.9019 -3.1347 -3.1230 -3.1055 -3.0980 -1.5964 -1.5885 -1.4672 -1.4359 -1.3949 -1.3861 -0.7851 -0.7796 0.3108 0.3170 0.3956 0.4570 0.4897 0.5379 0.5931 0.6188 0.6848 0.7116 0.9301 0.9612 1.0257 1.0785 1.1297 1.2121 1.3042 1.3801 1.4542 1.4722 1.5460 1.6125 1.6961 1.7456 2.1312 2.1681 2.3338 2.5470 2.6019 2.7543 3.0294 3.1337 3.2162 3.2813 3.3664 3.4562 3.5110 3.5654 3.7140 3.8245 3.8734 3.9688 6.2365 6.3052 7.9179 7.9432 8.1649 8.2938 9.1370 9.3282 9.5063 9.5264 10.0022 10.0740 k =-0.1749 0.2467 0.7793 ( 11390 PWs) bands (ev): -8.0226 -8.0210 -8.0181 -8.0152 -7.9526 -7.9511 -7.8993 -7.8942 -3.1356 -3.1232 -3.1061 -3.0982 -1.5983 -1.5899 -1.4688 -1.4353 -1.3972 -1.3874 -0.7821 -0.7768 0.3155 0.3193 0.4031 0.4588 0.4951 0.5397 0.5933 0.6185 0.6881 0.7151 0.9427 0.9674 1.0271 1.0761 1.1434 1.2070 1.3118 1.3859 1.4646 1.4750 1.5569 1.6258 1.6942 1.7495 2.1484 2.1871 2.3146 2.5333 2.6182 2.7564 3.0018 3.1113 3.1942 3.2560 3.3375 3.4289 3.4909 3.5503 3.6977 3.8283 3.8615 3.9676 6.2665 6.3432 7.9484 7.9841 8.1768 8.3141 9.0678 9.2511 9.4477 9.4748 9.9985 10.0774 k =-0.1848 0.2606 0.7623 ( 11393 PWs) bands (ev): -8.0269 -8.0247 -8.0196 -8.0171 -7.9547 -7.9536 -7.8920 -7.8867 -3.1364 -3.1235 -3.1068 -3.0984 -1.6003 -1.5911 -1.4705 -1.4346 -1.3994 -1.3885 -0.7791 -0.7739 0.3200 0.3236 0.4102 0.4602 0.5003 0.5402 0.5939 0.6175 0.6919 0.7217 0.9532 0.9730 1.0284 1.0737 1.1575 1.2009 1.3186 1.3905 1.4760 1.4799 1.5682 1.6389 1.6953 1.7525 2.1631 2.2079 2.3020 2.5206 2.6327 2.7491 2.9755 3.0885 3.1742 3.2324 3.3076 3.4001 3.4678 3.5331 3.6839 3.8310 3.8514 3.9666 6.2975 6.3814 7.9793 8.0270 8.1898 8.3363 8.9967 9.1681 9.3990 9.4286 9.9936 10.0734 k =-0.1946 0.2745 0.7453 ( 11385 PWs) bands (ev): -8.0311 -8.0286 -8.0210 -8.0185 -7.9567 -7.9560 -7.8849 -7.8795 -3.1372 -3.1238 -3.1073 -3.0986 -1.6024 -1.5921 -1.4722 -1.4340 -1.4016 -1.3896 -0.7763 -0.7710 0.3244 0.3295 0.4169 0.4614 0.5051 0.5401 0.5947 0.6158 0.6959 0.7313 0.9586 0.9809 1.0297 1.0715 1.1719 1.1941 1.3246 1.3945 1.4861 1.4877 1.5801 1.6520 1.6993 1.7549 2.1728 2.2297 2.2990 2.5096 2.6430 2.7327 2.9529 3.0660 3.1544 3.2119 3.2765 3.3707 3.4416 3.5148 3.6726 3.8280 3.8482 3.9659 6.3288 6.4190 8.0101 8.0711 8.2045 8.3611 8.9260 9.0838 9.3572 9.3867 9.9869 10.0609 k =-0.2045 0.2884 0.7282 ( 11385 PWs) bands (ev): -8.0351 -8.0326 -8.0223 -8.0198 -7.9586 -7.9582 -7.8782 -7.8726 -3.1379 -3.1241 -3.1078 -3.0988 -1.6046 -1.5928 -1.4739 -1.4334 -1.4038 -1.3906 -0.7738 -0.7679 0.3295 0.3361 0.4230 0.4624 0.5091 0.5397 0.5953 0.6139 0.6998 0.7431 0.9583 0.9914 1.0306 1.0699 1.1845 1.1886 1.3301 1.3983 1.4927 1.4995 1.5930 1.6653 1.7058 1.7567 2.1758 2.2514 2.3071 2.5002 2.6475 2.7099 2.9357 3.0430 3.1320 3.1966 3.2445 3.3418 3.4123 3.4964 3.6635 3.8190 3.8520 3.9656 6.3596 6.4552 8.0402 8.1151 8.2215 8.3890 8.8576 9.0013 9.3204 9.3484 9.9782 10.0405 k =-0.2143 0.3023 0.7112 ( 11380 PWs) bands (ev): -8.0389 -8.0363 -8.0235 -8.0208 -7.9605 -7.9601 -7.8719 -7.8662 -3.1387 -3.1245 -3.1083 -3.0990 -1.6067 -1.5934 -1.4755 -1.4329 -1.4058 -1.3915 -0.7715 -0.7647 0.3352 0.3432 0.4287 0.4631 0.5122 0.5392 0.5955 0.6127 0.7034 0.7563 0.9549 1.0017 1.0312 1.0692 1.1785 1.2009 1.3357 1.4024 1.4983 1.5118 1.6068 1.6788 1.7142 1.7582 2.1738 2.2720 2.3245 2.4917 2.6450 2.6849 2.9247 3.0190 3.1058 3.1858 3.2126 3.3153 3.3805 3.4789 3.6562 3.8090 3.8579 3.9657 6.3894 6.4892 8.0692 8.1573 8.2419 8.4199 8.7932 8.9225 9.2876 9.3131 9.9667 10.0146 k =-0.2242 0.3162 0.6942 ( 11369 PWs) bands (ev): -8.0425 -8.0399 -8.0245 -8.0218 -7.9624 -7.9618 -7.8661 -7.8603 -3.1394 -3.1250 -3.1087 -3.0992 -1.6088 -1.5938 -1.4771 -1.4324 -1.4077 -1.3922 -0.7693 -0.7616 0.3416 0.3506 0.4338 0.4637 0.5143 0.5386 0.5949 0.6128 0.7070 0.7699 0.9496 1.0096 1.0323 1.0699 1.1704 1.2139 1.3417 1.4072 1.5024 1.5245 1.6213 1.6921 1.7240 1.7598 2.1695 2.2909 2.3476 2.4824 2.6354 2.6627 2.9195 2.9939 3.0765 3.1683 3.1885 3.2936 3.3470 3.4625 3.6503 3.7993 3.8643 3.9661 6.4176 6.5204 8.0966 8.1953 8.2671 8.4537 8.7340 8.8487 9.2583 9.2807 9.9504 9.9875 k =-0.2340 0.3301 0.6771 ( 11377 PWs) bands (ev): -8.0457 -8.0432 -8.0255 -8.0226 -7.9641 -7.9633 -7.8608 -7.8549 -3.1400 -3.1254 -3.1090 -3.0993 -1.6108 -1.5942 -1.4787 -1.4320 -1.4095 -1.3929 -0.7674 -0.7586 0.3485 0.3582 0.4385 0.4640 0.5153 0.5377 0.5940 0.6140 0.7103 0.7829 0.9433 1.0124 1.0355 1.0724 1.1621 1.2253 1.3486 1.4131 1.5051 1.5375 1.6355 1.7044 1.7350 1.7618 2.1649 2.3076 2.3728 2.4705 2.6209 2.6483 2.9169 2.9703 3.0455 3.1374 3.1743 3.2802 3.3129 3.4475 3.6453 3.7903 3.8706 3.9666 6.4437 6.5484 8.1220 8.2273 8.2979 8.4894 8.6813 8.7808 9.2324 9.2514 9.9245 9.9658 k =-0.2439 0.3440 0.6601 ( 11384 PWs) bands (ev): -8.0487 -8.0463 -8.0262 -8.0232 -7.9657 -7.9646 -7.8561 -7.8501 -3.1405 -3.1258 -3.1092 -3.0994 -1.6127 -1.5943 -1.4802 -1.4317 -1.4111 -1.3934 -0.7657 -0.7558 0.3558 0.3659 0.4429 0.4642 0.5153 0.5364 0.5935 0.6158 0.7134 0.7948 0.9365 1.0106 1.0406 1.0766 1.1538 1.2346 1.3562 1.4207 1.5066 1.5506 1.6483 1.7151 1.7468 1.7648 2.1611 2.3213 2.3974 2.4554 2.6050 2.6444 2.9072 2.9562 3.0135 3.1047 3.1564 3.2704 3.2850 3.4338 3.6412 3.7821 3.8767 3.9672 6.4674 6.5730 8.1452 8.2539 8.3315 8.5261 8.6365 8.7193 9.2098 9.2257 9.8898 9.9506 k =-0.2537 0.3579 0.6431 ( 11380 PWs) bands (ev): -8.0514 -8.0490 -8.0268 -8.0237 -7.9671 -7.9658 -7.8520 -7.8459 -3.1410 -3.1262 -3.1094 -3.0995 -1.6144 -1.5944 -1.4817 -1.4315 -1.4124 -1.3938 -0.7642 -0.7532 0.3631 0.3736 0.4468 0.4642 0.5144 0.5346 0.5939 0.6179 0.7161 0.8049 0.9298 1.0062 1.0454 1.0823 1.1455 1.2418 1.3640 1.4302 1.5072 1.5634 1.6586 1.7245 1.7591 1.7688 2.1582 2.3304 2.4184 2.4400 2.5917 2.6513 2.8843 2.9555 2.9821 3.0743 3.1342 3.2411 3.2849 3.4214 3.6377 3.7747 3.8822 3.9678 6.4884 6.5938 8.1658 8.2768 8.3636 8.5623 8.6013 8.6652 9.1902 9.2045 9.8513 9.9388 k =-0.2636 0.3718 0.6260 ( 11386 PWs) bands (ev): -8.0538 -8.0515 -8.0272 -8.0240 -7.9683 -7.9667 -7.8484 -7.8423 -3.1415 -3.1266 -3.1096 -3.0996 -1.6160 -1.5943 -1.4830 -1.4313 -1.4136 -1.3941 -0.7628 -0.7509 0.3702 0.3813 0.4504 0.4641 0.5127 0.5324 0.5954 0.6198 0.7183 0.8128 0.9235 1.0008 1.0494 1.0888 1.1373 1.2469 1.3714 1.4418 1.5072 1.5757 1.6659 1.7331 1.7705 1.7735 2.1561 2.3327 2.4268 2.4358 2.5850 2.6666 2.8556 2.9429 2.9675 3.0487 3.1102 3.2094 3.2931 3.4103 3.6348 3.7680 3.8871 3.9681 6.5065 6.6109 8.1836 8.2965 8.3893 8.5770 8.5952 8.6210 9.1730 9.1892 9.8121 9.9288 k =-0.2734 0.3857 0.6090 ( 11394 PWs) bands (ev): -8.0559 -8.0536 -8.0275 -8.0241 -7.9694 -7.9675 -7.8455 -7.8394 -3.1418 -3.1270 -3.1097 -3.0997 -1.6174 -1.5942 -1.4842 -1.4312 -1.4145 -1.3942 -0.7617 -0.7488 0.3768 0.3890 0.4534 0.4639 0.5103 0.5300 0.5980 0.6214 0.7197 0.8182 0.9179 0.9950 1.0527 1.0953 1.1295 1.2501 1.3776 1.4553 1.5067 1.5868 1.6702 1.7413 1.7769 1.7810 2.1546 2.3270 2.4252 2.4429 2.5874 2.6868 2.8266 2.9113 2.9685 3.0326 3.0868 3.1800 3.3034 3.4006 3.6323 3.7621 3.8911 3.9680 6.5214 6.6242 8.1984 8.3122 8.4051 8.5620 8.5833 8.6306 9.1588 9.1801 9.7743 9.9204 k =-0.2833 0.3996 0.5920 ( 11387 PWs) bands (ev): -8.0576 -8.0555 -8.0275 -8.0240 -7.9702 -7.9681 -7.8433 -7.8371 -3.1421 -3.1273 -3.1098 -3.0998 -1.6186 -1.5939 -1.4853 -1.4311 -1.4151 -1.3943 -0.7608 -0.7471 0.3826 0.3967 0.4557 0.4639 0.5075 0.5275 0.6015 0.6228 0.7200 0.8212 0.9131 0.9892 1.0555 1.1011 1.1226 1.2518 1.3824 1.4696 1.5059 1.5962 1.6730 1.7487 1.7804 1.7881 2.1534 2.3162 2.4296 2.4461 2.5975 2.7070 2.8012 2.8797 2.9614 3.0308 3.0659 3.1543 3.3141 3.3924 3.6303 3.7567 3.8941 3.9675 6.5332 6.6340 8.2103 8.3226 8.4114 8.5387 8.5790 8.6564 9.1486 9.1771 9.7398 9.9136 k =-0.2931 0.4134 0.5749 ( 11392 PWs) bands (ev): -8.0589 -8.0569 -8.0274 -8.0238 -7.9708 -7.9685 -7.8417 -7.8355 -3.1423 -3.1276 -3.1098 -3.0998 -1.6196 -1.5936 -1.4862 -1.4311 -1.4155 -1.3943 -0.7602 -0.7458 0.3873 0.4043 0.4565 0.4647 0.5047 0.5252 0.6055 0.6239 0.7192 0.8220 0.9089 0.9838 1.0580 1.1040 1.1183 1.2523 1.3859 1.4832 1.5053 1.6032 1.6754 1.7547 1.7823 1.7920 2.1524 2.3050 2.4346 2.4517 2.6111 2.7160 2.7879 2.8516 2.9475 3.0398 3.0498 3.1331 3.3243 3.3862 3.6287 3.7519 3.8960 3.9665 6.5417 6.6405 8.2195 8.3263 8.4133 8.5149 8.5883 8.6763 9.1433 9.1797 9.7104 9.9083 k =-0.3030 0.4273 0.5579 ( 11388 PWs) bands (ev): -8.0600 -8.0581 -8.0270 -8.0233 -7.9712 -7.9688 -7.8408 -7.8346 -3.1424 -3.1278 -3.1097 -3.0999 -1.6203 -1.5931 -1.4869 -1.4311 -1.4157 -1.3942 -0.7597 -0.7449 0.3908 0.4116 0.4554 0.4663 0.5022 0.5231 0.6093 0.6254 0.7169 0.8210 0.9050 0.9791 1.0603 1.1012 1.1196 1.2516 1.3880 1.4930 1.5069 1.6071 1.6778 1.7586 1.7826 1.7930 2.1518 2.2959 2.4373 2.4636 2.6232 2.7050 2.7878 2.8355 2.9323 3.0399 3.0540 3.1177 3.3333 3.3824 3.6274 3.7477 3.8968 3.9649 6.5469 6.6437 8.2261 8.3231 8.4155 8.4968 8.5991 8.6887 9.1435 9.1875 9.6881 9.9044 k =-0.3128 0.4412 0.5409 ( 11384 PWs) bands (ev): -8.0606 -8.0588 -8.0264 -8.0227 -7.9714 -7.9688 -7.8406 -7.8344 -3.1424 -3.1279 -3.1097 -3.0999 -1.6209 -1.5926 -1.4875 -1.4312 -1.4157 -1.3940 -0.7595 -0.7444 0.3931 0.4183 0.4528 0.4683 0.5004 0.5212 0.6119 0.6282 0.7132 0.8187 0.9011 0.9752 1.0624 1.0955 1.1234 1.2500 1.3888 1.4949 1.5139 1.6080 1.6799 1.7593 1.7816 1.7925 2.1520 2.2899 2.4406 2.4789 2.6277 2.6879 2.7774 2.8421 2.9203 3.0395 3.0685 3.1096 3.3402 3.3817 3.6264 3.7439 3.8964 3.9628 6.5487 6.6438 8.2299 8.3143 8.4204 8.4849 8.6061 8.6929 9.1492 9.1998 9.6743 9.9019 k =-0.3128 0.4412 0.5409 ( 11384 PWs) bands (ev): -8.0606 -8.0588 -8.0264 -8.0227 -7.9714 -7.9688 -7.8406 -7.8344 -3.1424 -3.1279 -3.1097 -3.0999 -1.6209 -1.5926 -1.4875 -1.4312 -1.4157 -1.3940 -0.7595 -0.7444 0.3931 0.4183 0.4528 0.4683 0.5004 0.5212 0.6119 0.6282 0.7132 0.8187 0.9011 0.9752 1.0624 1.0955 1.1234 1.2500 1.3888 1.4949 1.5139 1.6080 1.6799 1.7593 1.7816 1.7925 2.1520 2.2899 2.4406 2.4789 2.6277 2.6879 2.7774 2.8421 2.9203 3.0395 3.0685 3.1096 3.3402 3.3817 3.6264 3.7439 3.8964 3.9628 6.5487 6.6438 8.2299 8.3143 8.4204 8.4849 8.6061 8.6929 9.1492 9.1998 9.6743 9.9019 k =-0.3031 0.4274 0.5240 ( 11382 PWs) bands (ev): -8.0639 -8.0626 -8.0190 -8.0150 -7.9754 -7.9723 -7.8407 -7.8344 -3.1424 -3.1282 -3.1086 -3.0991 -1.6198 -1.5924 -1.4856 -1.4312 -1.4126 -1.3921 -0.7511 -0.7378 0.3916 0.4174 0.4547 0.4664 0.5014 0.5163 0.6103 0.6238 0.7180 0.8282 0.9007 0.9669 1.0596 1.0772 1.1270 1.2436 1.3853 1.4954 1.5110 1.6083 1.6647 1.7443 1.7697 1.7820 2.1494 2.2900 2.4271 2.4773 2.6315 2.6798 2.7651 2.8314 2.9335 3.0154 3.0860 3.1109 3.3638 3.4113 3.6234 3.7409 3.8954 3.9658 6.5609 6.6530 8.2323 8.3240 8.4574 8.5229 8.6464 8.7372 9.2303 9.2842 9.7549 9.8812 k =-0.2933 0.4137 0.5071 ( 11392 PWs) bands (ev): -8.0701 -8.0692 -8.0113 -8.0072 -7.9766 -7.9732 -7.8408 -7.8344 -3.1423 -3.1284 -3.1075 -3.0983 -1.6183 -1.5921 -1.4837 -1.4313 -1.4096 -1.3904 -0.7433 -0.7317 0.3897 0.4157 0.4564 0.4654 0.5034 0.5125 0.6089 0.6196 0.7231 0.8373 0.9002 0.9582 1.0545 1.0622 1.1291 1.2397 1.3824 1.4950 1.5083 1.6072 1.6507 1.7293 1.7583 1.7729 2.1458 2.2902 2.4120 2.4723 2.6318 2.6676 2.7550 2.8279 2.9356 2.9967 3.1052 3.1281 3.3862 3.4457 3.6181 3.7368 3.8919 3.9658 6.5730 6.6608 8.2302 8.3249 8.4998 8.5629 8.6849 8.7779 9.3062 9.3644 9.8119 9.8416 k =-0.2835 0.3999 0.4902 ( 11406 PWs) bands (ev): -8.0789 -8.0782 -8.0035 -7.9992 -7.9753 -7.9716 -7.8408 -7.8344 -3.1421 -3.1286 -3.1065 -3.0976 -1.6166 -1.5917 -1.4818 -1.4317 -1.4068 -1.3889 -0.7363 -0.7262 0.3871 0.4137 0.4572 0.4662 0.5050 0.5109 0.6073 0.6157 0.7282 0.8447 0.8999 0.9504 1.0449 1.0534 1.1296 1.2378 1.3802 1.4934 1.5061 1.6041 1.6384 1.7148 1.7474 1.7649 2.1413 2.2903 2.3957 2.4629 2.6269 2.6545 2.7475 2.8315 2.9243 2.9875 3.1278 3.1574 3.4068 3.4833 3.6108 3.7321 3.8863 3.9625 6.5849 6.6670 8.2236 8.3191 8.5447 8.6042 8.7217 8.8146 9.3741 9.4370 9.8019 9.8412 k =-0.2737 0.3861 0.4733 ( 11402 PWs) bands (ev): -8.0897 -8.0892 -7.9955 -7.9910 -7.9721 -7.9683 -7.8409 -7.8344 -3.1417 -3.1286 -3.1054 -3.0969 -1.6146 -1.5911 -1.4799 -1.4322 -1.4042 -1.3878 -0.7302 -0.7213 0.3838 0.4119 0.4572 0.4685 0.5051 0.5126 0.6053 0.6128 0.7333 0.8489 0.9007 0.9450 1.0343 1.0476 1.1285 1.2372 1.3785 1.4903 1.5045 1.5987 1.6280 1.7012 1.7374 1.7580 2.1361 2.2905 2.3786 2.4494 2.6120 2.6475 2.7418 2.8401 2.9057 2.9866 3.1551 3.1928 3.4245 3.5217 3.6032 3.7272 3.8793 3.9560 6.5962 6.6714 8.2128 8.3079 8.5899 8.6461 8.7573 8.8475 9.4315 9.4976 9.7698 9.8431 k =-0.2640 0.3723 0.4564 ( 11402 PWs) bands (ev): -8.1018 -8.1014 -7.9875 -7.9828 -7.9674 -7.9636 -7.8410 -7.8344 -3.1412 -3.1287 -3.1043 -3.0963 -1.6123 -1.5904 -1.4780 -1.4329 -1.4017 -1.3868 -0.7252 -0.7171 0.3799 0.4103 0.4574 0.4710 0.5055 0.5159 0.6024 0.6115 0.7381 0.8487 0.9029 0.9427 1.0257 1.0424 1.1261 1.2376 1.3774 1.4861 1.5030 1.5909 1.6199 1.6887 1.7285 1.7518 2.1304 2.2909 2.3611 2.4327 2.5894 2.6457 2.7369 2.8464 2.8920 2.9916 3.1849 3.2319 3.4380 3.5534 3.6027 3.7223 3.8726 3.9462 6.6063 6.6737 8.1981 8.2924 8.6329 8.6875 8.7933 8.8772 9.4758 9.5407 9.7429 9.8309 k =-0.2542 0.3585 0.4395 ( 11388 PWs) bands (ev): -8.1149 -8.1144 -7.9793 -7.9746 -7.9619 -7.9580 -7.8411 -7.8345 -3.1406 -3.1286 -3.1033 -3.0958 -1.6098 -1.5896 -1.4762 -1.4337 -1.3996 -1.3862 -0.7215 -0.7135 0.3756 0.4092 0.4581 0.4729 0.5075 0.5197 0.5990 0.6115 0.7424 0.8448 0.9061 0.9431 1.0198 1.0378 1.1225 1.2383 1.3765 1.4815 1.5011 1.5811 1.6138 1.6772 1.7209 1.7464 2.1244 2.2912 2.3434 2.4145 2.5640 2.6451 2.7323 2.8361 2.8993 3.0018 3.2147 3.2732 3.4458 3.5597 3.6286 3.7167 3.8686 3.9333 6.6148 6.6737 8.1798 8.2732 8.6711 8.7267 8.8317 8.9051 9.5052 9.5620 9.7196 9.8102 k =-0.2444 0.3447 0.4226 ( 11384 PWs) bands (ev): -8.1286 -8.1281 -7.9712 -7.9663 -7.9557 -7.9519 -7.8411 -7.8346 -3.1398 -3.1285 -3.1023 -3.0953 -1.6071 -1.5886 -1.4744 -1.4346 -1.3976 -1.3858 -0.7189 -0.7106 0.3713 0.4085 0.4591 0.4744 0.5107 0.5240 0.5958 0.6126 0.7462 0.8387 0.9098 0.9440 1.0165 1.0347 1.1182 1.2392 1.3757 1.4769 1.4986 1.5700 1.6094 1.6666 1.7145 1.7415 2.1180 2.2910 2.3259 2.3966 2.5376 2.6441 2.7275 2.8158 2.9212 3.0174 3.2415 3.3158 3.4468 3.5526 3.6702 3.7086 3.8704 3.9177 6.6209 6.6709 8.1587 8.2509 8.7022 8.7615 8.8744 8.9334 9.5185 9.5632 9.6930 9.7827 k =-0.2346 0.3309 0.4057 ( 11388 PWs) bands (ev): -8.1425 -8.1420 -7.9630 -7.9581 -7.9491 -7.9454 -7.8412 -7.8347 -3.1390 -3.1283 -3.1013 -3.0949 -1.6042 -1.5875 -1.4727 -1.4357 -1.3960 -1.3856 -0.7176 -0.7086 0.3670 0.4082 0.4601 0.4761 0.5146 0.5287 0.5930 0.6146 0.7492 0.8322 0.9136 0.9435 1.0142 1.0353 1.1137 1.2399 1.3747 1.4725 1.4953 1.5582 1.6060 1.6572 1.7092 1.7373 2.1115 2.2890 2.3093 2.3811 2.5110 2.6420 2.7223 2.7946 2.9484 3.0380 3.2624 3.3580 3.4408 3.5470 3.6938 3.7179 3.8801 3.8999 6.6236 6.6652 8.1353 8.2263 8.7253 8.7895 8.9219 8.9642 9.5139 9.5525 9.6547 9.7494 k =-0.2248 0.3171 0.3888 ( 11380 PWs) bands (ev): -8.1566 -8.1561 -7.9548 -7.9499 -7.9423 -7.9386 -7.8412 -7.8348 -3.1380 -3.1280 -3.1004 -3.0946 -1.6011 -1.5862 -1.4712 -1.4368 -1.3946 -1.3857 -0.7174 -0.7075 0.3629 0.4081 0.4610 0.4786 0.5182 0.5344 0.5909 0.6177 0.7514 0.8264 0.9177 0.9408 1.0110 1.0404 1.1099 1.2406 1.3731 1.4688 1.4912 1.5462 1.6033 1.6493 1.7048 1.7337 2.1047 2.2812 2.2974 2.3697 2.4845 2.6381 2.7165 2.7755 2.9779 3.0629 3.2741 3.3957 3.4308 3.5486 3.6771 3.7642 3.8804 3.8991 6.6218 6.6564 8.1107 8.2001 8.7409 8.8094 8.9733 8.9987 9.4892 9.5374 9.6019 9.7128 k =-0.2151 0.3033 0.3719 ( 11390 PWs) bands (ev): -8.1707 -8.1702 -7.9468 -7.9419 -7.9353 -7.9318 -7.8412 -7.8349 -3.1370 -3.1277 -3.0996 -3.0943 -1.5978 -1.5848 -1.4697 -1.4380 -1.3936 -1.3860 -0.7183 -0.7076 0.3591 0.4083 0.4614 0.4822 0.5213 0.5407 0.5898 0.6218 0.7527 0.8220 0.9216 0.9367 1.0068 1.0472 1.1084 1.2410 1.3707 1.4656 1.4863 1.5345 1.6003 1.6435 1.7012 1.7309 2.0977 2.2656 2.2920 2.3634 2.4586 2.6317 2.7100 2.7602 3.0079 3.0916 3.2746 3.4019 3.4425 3.5602 3.6574 3.8098 3.8636 3.9245 6.6143 6.6443 8.0855 8.1729 8.7503 8.8213 9.0255 9.0361 9.4473 9.5113 9.5455 9.6774 k =-0.2053 0.2896 0.3550 ( 11390 PWs) bands (ev): -8.1847 -8.1842 -7.9388 -7.9339 -7.9282 -7.9248 -7.8413 -7.8351 -3.1359 -3.1273 -3.0988 -3.0940 -1.5944 -1.5833 -1.4684 -1.4393 -1.3928 -1.3865 -0.7202 -0.7087 0.3557 0.4087 0.4619 0.4869 0.5240 0.5473 0.5898 0.6270 0.7530 0.8195 0.9224 0.9346 1.0027 1.0518 1.1111 1.2414 1.3673 1.4631 1.4806 1.5238 1.5966 1.6400 1.6983 1.7289 2.0906 2.2478 2.2886 2.3618 2.4335 2.6220 2.7033 2.7491 3.0364 3.1231 3.2637 3.3838 3.4668 3.5797 3.6413 3.8321 3.8723 3.9553 6.5999 6.6289 8.0608 8.1456 8.7548 8.8265 9.0678 9.0796 9.3940 9.4487 9.5176 9.6471 k =-0.1955 0.2758 0.3381 ( 11392 PWs) bands (ev): -8.1985 -8.1980 -7.9309 -7.9261 -7.9211 -7.9179 -7.8413 -7.8352 -3.1347 -3.1268 -3.0981 -3.0939 -1.5910 -1.5816 -1.4671 -1.4406 -1.3923 -1.3873 -0.7230 -0.7109 0.3528 0.4091 0.4628 0.4926 0.5265 0.5538 0.5911 0.6334 0.7523 0.8189 0.9173 0.9375 0.9993 1.0520 1.1188 1.2420 1.3629 1.4610 1.4740 1.5145 1.5919 1.6387 1.6962 1.7280 2.0834 2.2299 2.2863 2.3638 2.4094 2.6086 2.6976 2.7417 3.0603 3.1566 3.2431 3.3657 3.4772 3.5932 3.6451 3.8242 3.9165 3.9899 6.5781 6.6094 8.0374 8.1185 8.7553 8.8261 9.0934 9.1193 9.3403 9.3773 9.5025 9.6236 k =-0.1857 0.2620 0.3211 ( 11396 PWs) bands (ev): -8.2121 -8.2116 -7.9232 -7.9185 -7.9141 -7.9111 -7.8413 -7.8354 -3.1334 -3.1263 -3.0974 -3.0937 -1.5874 -1.5797 -1.4661 -1.4419 -1.3922 -1.3881 -0.7267 -0.7141 0.3501 0.4093 0.4642 0.4990 0.5291 0.5598 0.5940 0.6407 0.7509 0.8203 0.9097 0.9417 0.9976 1.0486 1.1296 1.2430 1.3575 1.4591 1.4664 1.5073 1.5867 1.6386 1.6952 1.7283 2.0764 2.2129 2.2852 2.3675 2.3869 2.5919 2.6936 2.7371 3.0761 3.1905 3.2149 3.3538 3.4699 3.5897 3.6778 3.8215 3.9646 4.0270 6.5492 6.5846 8.0157 8.0922 8.7527 8.8209 9.0922 9.1274 9.3067 9.3266 9.4945 9.6072 k =-0.1760 0.2482 0.3042 ( 11386 PWs) bands (ev): -8.2252 -8.2248 -7.9157 -7.9112 -7.9072 -7.9043 -7.8413 -7.8356 -3.1322 -3.1258 -3.0969 -3.0936 -1.5839 -1.5778 -1.4651 -1.4432 -1.3923 -1.3890 -0.7312 -0.7183 0.3478 0.4091 0.4667 0.5060 0.5319 0.5651 0.5983 0.6491 0.7487 0.8235 0.9012 0.9448 0.9984 1.0432 1.1410 1.2449 1.3514 1.4570 1.4581 1.5022 1.5816 1.6389 1.6957 1.7302 2.0699 2.1972 2.2853 2.3634 2.3753 2.5725 2.6914 2.7344 3.0799 3.1798 3.2242 3.3519 3.4505 3.5785 3.7221 3.8307 4.0130 4.0656 6.5138 6.5535 7.9961 8.0669 8.7474 8.8112 9.0493 9.0863 9.2911 9.3335 9.4966 9.5980 k =-0.1662 0.2344 0.2873 ( 11394 PWs) bands (ev): -8.2380 -8.2376 -7.9084 -7.9041 -7.9003 -7.8978 -7.8412 -7.8358 -3.1308 -3.1252 -3.0964 -3.0935 -1.5804 -1.5757 -1.4643 -1.4445 -1.3929 -1.3899 -0.7363 -0.7234 0.3458 0.4084 0.4702 0.5134 0.5351 0.5699 0.6037 0.6584 0.7459 0.8283 0.8924 0.9459 1.0024 1.0369 1.1511 1.2480 1.3448 1.4482 1.4557 1.4989 1.5768 1.6383 1.6981 1.7338 2.0641 2.1832 2.2851 2.3462 2.3800 2.5513 2.6905 2.7331 3.0705 3.1417 3.2517 3.3603 3.4295 3.5614 3.7708 3.8522 4.0608 4.1049 6.4723 6.5157 7.9785 8.0427 8.7398 8.7971 8.9778 9.0164 9.2917 9.3665 9.5120 9.5966 k =-0.1564 0.2206 0.2704 ( 11372 PWs) bands (ev): -8.2504 -8.2499 -7.9013 -7.8973 -7.8937 -7.8914 -7.8412 -7.8360 -3.1295 -3.1246 -3.0959 -3.0935 -1.5770 -1.5734 -1.4635 -1.4458 -1.3938 -1.3908 -0.7421 -0.7293 0.3441 0.4072 0.4748 0.5209 0.5388 0.5745 0.6098 0.6684 0.7428 0.8343 0.8838 0.9452 1.0090 1.0306 1.1586 1.2526 1.3381 1.4385 1.4544 1.4969 1.5729 1.6367 1.7027 1.7392 2.0593 2.1711 2.2822 2.3336 2.3853 2.5288 2.6904 2.7331 3.0496 3.1015 3.2655 3.3737 3.4196 3.5414 3.8217 3.8833 4.1078 4.1445 6.4250 6.4711 7.9627 8.0196 8.7295 8.7781 8.8965 8.9391 9.2974 9.3994 9.5411 9.6039 k =-0.1466 0.2068 0.2535 ( 11356 PWs) bands (ev): -8.2622 -8.2617 -7.8946 -7.8908 -7.8872 -7.8853 -7.8411 -7.8362 -3.1282 -3.1240 -3.0956 -3.0935 -1.5738 -1.5709 -1.4629 -1.4471 -1.3950 -1.3917 -0.7483 -0.7358 0.3426 0.4054 0.4805 0.5285 0.5432 0.5792 0.6163 0.6789 0.7392 0.8405 0.8762 0.9434 1.0154 1.0268 1.1630 1.2582 1.3318 1.4288 1.4537 1.4959 1.5698 1.6337 1.7094 1.7463 2.0556 2.1610 2.2736 2.3287 2.3898 2.5051 2.6901 2.7342 3.0196 3.0621 3.2571 3.3835 3.4308 3.5260 3.8741 3.9212 4.1536 4.1838 6.3725 6.4202 7.9478 7.9976 8.7131 8.7521 8.8159 8.8670 9.3033 9.4251 9.5798 9.6193 k =-0.1369 0.1930 0.2366 ( 11354 PWs) bands (ev): -8.2734 -8.2730 -7.8881 -7.8847 -7.8810 -7.8794 -7.8411 -7.8365 -3.1269 -3.1233 -3.0953 -3.0935 -1.5709 -1.5682 -1.4624 -1.4483 -1.3963 -1.3927 -0.7549 -0.7428 0.3413 0.4030 0.4871 0.5356 0.5484 0.5840 0.6228 0.6897 0.7354 0.8446 0.8720 0.9414 1.0136 1.0326 1.1646 1.2636 1.3268 1.4192 1.4541 1.4957 1.5675 1.6297 1.7182 1.7549 2.0529 2.1529 2.2602 2.3305 2.3931 2.4805 2.6886 2.7366 2.9825 3.0261 3.2313 3.3802 3.4575 3.5254 3.9275 3.9637 4.1980 4.2225 6.3152 6.3633 7.9329 7.9766 8.6777 8.7086 8.7565 8.8120 9.3093 9.4435 9.6197 9.6419 k =-0.1271 0.1793 0.2197 ( 11338 PWs) bands (ev): -8.2841 -8.2837 -7.8820 -7.8788 -7.8751 -7.8738 -7.8410 -7.8367 -3.1256 -3.1226 -3.0951 -3.0935 -1.5683 -1.5652 -1.4620 -1.4494 -1.3977 -1.3937 -0.7617 -0.7502 0.3403 0.4003 0.4944 0.5420 0.5546 0.5892 0.6293 0.7003 0.7313 0.8429 0.8749 0.9399 1.0083 1.0430 1.1639 1.2673 1.3241 1.4100 1.4557 1.4965 1.5661 1.6249 1.7286 1.7648 2.0512 2.1468 2.2448 2.3357 2.3949 2.4550 2.6849 2.7399 2.9410 2.9947 3.1976 3.3599 3.4914 3.5420 3.9817 4.0094 4.2406 4.2602 6.2540 6.3015 7.9169 7.9566 8.6166 8.6384 8.7357 8.7774 9.3162 9.4567 9.6501 9.6716 k =-0.1173 0.1655 0.2028 ( 11344 PWs) bands (ev): -8.2941 -8.2938 -7.8763 -7.8734 -7.8694 -7.8685 -7.8408 -7.8369 -3.1244 -3.1220 -3.0949 -3.0935 -1.5659 -1.5622 -1.4616 -1.4505 -1.3992 -1.3947 -0.7686 -0.7578 0.3396 0.3972 0.5022 0.5478 0.5615 0.5945 0.6356 0.7100 0.7272 0.8367 0.8834 0.9392 1.0029 1.0541 1.1614 1.2677 1.3245 1.4013 1.4588 1.4983 1.5653 1.6197 1.7405 1.7760 2.0501 2.1423 2.2294 2.3420 2.3947 2.4290 2.6779 2.7433 2.8986 2.9682 3.1614 3.3289 3.5280 3.5687 4.0366 4.0575 4.2812 4.2967 6.1895 6.2355 7.8993 7.9374 8.5450 8.5642 8.7276 8.7554 9.3244 9.4667 9.6703 9.6996 k =-0.1075 0.1517 0.1859 ( 11346 PWs) bands (ev): -8.3035 -8.3031 -7.8710 -7.8683 -7.8642 -7.8635 -7.8407 -7.8372 -3.1232 -3.1213 -3.0948 -3.0935 -1.5636 -1.5594 -1.4613 -1.4516 -1.4006 -1.3959 -0.7755 -0.7654 0.3391 0.3939 0.5105 0.5531 0.5690 0.6000 0.6417 0.7165 0.7249 0.8289 0.8942 0.9398 0.9982 1.0650 1.1577 1.2649 1.3276 1.3930 1.4634 1.5015 1.5651 1.6144 1.7536 1.7882 2.0493 2.1389 2.2150 2.3474 2.3908 2.4051 2.6669 2.7445 2.8597 2.9471 3.1252 3.2932 3.5649 3.5990 4.0919 4.1075 4.3195 4.3316 6.1225 6.1664 7.8800 7.9184 8.4735 8.4918 8.7237 8.7405 9.3339 9.4747 9.6841 9.7170 k =-0.0978 0.1379 0.1690 ( 11326 PWs) bands (ev): -8.3121 -8.3118 -7.8661 -7.8635 -7.8593 -7.8589 -7.8405 -7.8374 -3.1221 -3.1207 -3.0947 -3.0936 -1.5613 -1.5567 -1.4611 -1.4525 -1.4020 -1.3970 -0.7822 -0.7730 0.3389 0.3903 0.5188 0.5580 0.5767 0.6056 0.6475 0.7145 0.7293 0.8209 0.9056 0.9422 0.9947 1.0753 1.1531 1.2600 1.3320 1.3855 1.4698 1.5064 1.5655 1.6092 1.7680 1.8015 2.0483 2.1357 2.2026 2.3476 2.3751 2.3951 2.6519 2.7378 2.8307 2.9316 3.0905 3.2557 3.6009 3.6301 4.1474 4.1587 4.3552 4.3649 6.0540 6.0952 7.8596 7.8992 8.4055 8.4231 8.7220 8.7313 9.3442 9.4809 9.6925 9.7235 k =-0.0880 0.1241 0.1521 ( 11320 PWs) bands (ev): -8.3200 -8.3197 -7.8616 -7.8592 -7.8550 -7.8546 -7.8403 -7.8376 -3.1211 -3.1200 -3.0946 -3.0936 -1.5592 -1.5542 -1.4608 -1.4534 -1.4032 -1.3983 -0.7887 -0.7803 0.3390 0.3866 0.5272 0.5627 0.5846 0.6110 0.6531 0.7094 0.7348 0.8131 0.9159 0.9469 0.9930 1.0848 1.1480 1.2541 1.3362 1.3787 1.4778 1.5129 1.5663 1.6043 1.7835 1.8159 2.0467 2.1311 2.1933 2.3312 2.3646 2.3928 2.6335 2.7176 2.8181 2.9217 3.0581 3.2181 3.6351 3.6601 4.2030 4.2109 4.3880 4.3961 5.9849 6.0229 7.8388 7.8793 8.3423 8.3589 8.7208 8.7278 9.3550 9.4854 9.6968 9.7229 k =-0.0782 0.1103 0.1352 ( 11330 PWs) bands (ev): -8.3272 -8.3269 -7.8577 -7.8552 -7.8511 -7.8507 -7.8400 -7.8377 -3.1202 -3.1194 -3.0946 -3.0937 -1.5571 -1.5521 -1.4606 -1.4542 -1.4044 -1.3995 -0.7947 -0.7873 0.3394 0.3828 0.5354 0.5671 0.5925 0.6163 0.6582 0.7036 0.7389 0.8056 0.9237 0.9532 0.9945 1.0931 1.1426 1.2475 1.3393 1.3729 1.4872 1.5208 1.5674 1.5997 1.8001 1.8312 2.0444 2.1238 2.1876 2.3045 2.3582 2.3931 2.6129 2.6884 2.8185 2.9167 3.0285 3.1813 3.6669 3.6881 4.2581 4.2633 4.4178 4.4252 5.9162 5.9508 7.8184 7.8588 8.2849 8.3002 8.7201 8.7291 9.3659 9.4879 9.6982 9.7190 k =-0.0684 0.0965 0.1183 ( 11322 PWs) bands (ev): -8.3335 -8.3333 -7.8542 -7.8517 -7.8478 -7.8472 -7.8397 -7.8378 -3.1194 -3.1188 -3.0946 -3.0938 -1.5551 -1.5502 -1.4604 -1.4550 -1.4053 -1.4007 -0.8003 -0.7938 0.3401 0.3790 0.5432 0.5712 0.6005 0.6212 0.6629 0.6974 0.7415 0.7985 0.9293 0.9583 1.0013 1.1004 1.1375 1.2407 1.3411 1.3680 1.4980 1.5299 1.5689 1.5955 1.8178 1.8475 2.0414 2.1135 2.1848 2.2763 2.3489 2.3942 2.5918 2.6583 2.8246 2.9154 3.0021 3.1460 3.6959 3.7137 4.3121 4.3154 4.4445 4.4518 5.8490 5.8800 7.7991 7.8381 8.2335 8.2472 8.7213 8.7324 9.3767 9.4885 9.6978 9.7144 k =-0.0587 0.0827 0.1014 ( 11318 PWs) bands (ev): -8.3391 -8.3389 -7.8512 -7.8486 -7.8451 -7.8442 -7.8392 -7.8378 -3.1188 -3.1183 -3.0946 -3.0939 -1.5532 -1.5486 -1.4602 -1.4556 -1.4061 -1.4018 -0.8053 -0.7997 0.3412 0.3752 0.5506 0.5748 0.6085 0.6259 0.6667 0.6913 0.7429 0.7918 0.9336 0.9605 1.0134 1.1060 1.1334 1.2336 1.3417 1.3640 1.5098 1.5394 1.5706 1.5919 1.8366 1.8649 2.0378 2.1008 2.1822 2.2494 2.3374 2.3938 2.5724 2.6313 2.8329 2.9169 2.9791 3.1127 3.7216 3.7363 4.3639 4.3662 4.4682 4.4756 5.7848 5.8120 7.7816 7.8177 8.1885 8.2006 8.7244 8.7365 9.3872 9.4869 9.6965 9.7103 k =-0.0489 0.0689 0.0845 ( 11320 PWs) bands (ev): -8.3438 -8.3437 -7.8488 -7.8459 -7.8432 -7.8418 -7.8384 -7.8375 -3.1182 -3.1178 -3.0946 -3.0940 -1.5515 -1.5474 -1.4600 -1.4563 -1.4068 -1.4029 -0.8096 -0.8049 0.3426 0.3714 0.5574 0.5779 0.6163 0.6306 0.6691 0.6854 0.7436 0.7855 0.9372 0.9604 1.0283 1.1089 1.1321 1.2261 1.3414 1.3606 1.5222 1.5486 1.5725 1.5886 1.8561 1.8832 2.0341 2.0864 2.1763 2.2260 2.3259 2.3898 2.5569 2.6089 2.8419 2.9197 2.9602 3.0819 3.7438 3.7557 4.4119 4.4146 4.4887 4.4966 5.7252 5.7483 7.7663 7.7984 8.1502 8.1604 8.7288 8.7407 9.3975 9.4833 9.6951 9.7070 k =-0.0391 0.0552 0.0676 ( 11316 PWs) bands (ev): -8.3477 -8.3476 -7.8468 -7.8436 -7.8422 -7.8402 -7.8372 -7.8368 -3.1177 -3.1174 -3.0945 -3.0940 -1.5500 -1.5464 -1.4598 -1.4568 -1.4072 -1.4039 -0.8132 -0.8094 0.3443 0.3677 0.5635 0.5803 0.6237 0.6354 0.6691 0.6804 0.7445 0.7794 0.9405 0.9594 1.0435 1.1080 1.1352 1.2177 1.3410 1.3574 1.5348 1.5566 1.5744 1.5858 1.8761 1.9020 2.0308 2.0711 2.1650 2.2068 2.3172 2.3818 2.5469 2.5910 2.8510 2.9213 2.9471 3.0539 3.7623 3.7716 4.4544 4.4584 4.5064 4.5149 5.6719 5.6908 7.7539 7.7809 8.1189 8.1271 8.7338 8.7444 9.4075 9.4780 9.6942 9.7044 k =-0.0293 0.0414 0.0507 ( 11318 PWs) bands (ev): -8.3507 -8.3506 -7.8452 -7.8420 -7.8417 -7.8393 -7.8360 -7.8358 -3.1174 -3.1170 -3.0945 -3.0941 -1.5487 -1.5459 -1.4595 -1.4573 -1.4074 -1.4049 -0.8159 -0.8131 0.3464 0.3641 0.5689 0.5818 0.6304 0.6408 0.6662 0.6768 0.7460 0.7736 0.9436 0.9578 1.0575 1.1043 1.1423 1.2085 1.3410 1.3542 1.5467 1.5631 1.5760 1.5833 1.8959 1.9201 2.0281 2.0556 2.1510 2.1893 2.3134 2.3703 2.5424 2.5769 2.8600 2.9164 2.9447 3.0289 3.7771 3.7839 4.4888 4.4944 4.5223 4.5313 5.6272 5.6417 7.7446 7.7656 8.0945 8.1008 8.7387 8.7473 9.4172 9.4712 9.6939 9.7021 k =-0.0196 0.0276 0.0338 ( 11308 PWs) bands (ev): -8.3529 -8.3528 -7.8441 -7.8419 -7.8404 -7.8389 -7.8350 -7.8349 -3.1171 -3.1168 -3.0945 -3.0942 -1.5475 -1.5456 -1.4592 -1.4578 -1.4074 -1.4057 -0.8178 -0.8159 0.3487 0.3606 0.5735 0.5822 0.6363 0.6463 0.6620 0.6733 0.7487 0.7679 0.9464 0.9560 1.0695 1.0994 1.1518 1.1982 1.3417 1.3511 1.5574 1.5680 1.5766 1.5809 1.9149 1.9353 2.0261 2.0413 2.1399 2.1713 2.3153 2.3571 2.5423 2.5659 2.8689 2.9067 2.9507 3.0071 3.7880 3.7924 4.5121 4.5169 4.5394 4.5467 5.5935 5.6033 7.7389 7.7533 8.0774 8.0816 8.7431 8.7492 9.4268 9.4633 9.6943 9.7001 k =-0.0098 0.0138 0.0169 ( 11315 PWs) bands (ev): -8.3542 -8.3542 -7.8432 -7.8422 -7.8395 -7.8387 -7.8344 -7.8343 -3.1169 -3.1167 -3.0944 -3.0943 -1.5466 -1.5456 -1.4589 -1.4582 -1.4072 -1.4063 -0.8187 -0.8178 0.3513 0.3573 0.5772 0.5816 0.6417 0.6493 0.6601 0.6688 0.7525 0.7624 0.9491 0.9538 1.0792 1.0936 1.1630 1.1869 1.3431 1.3480 1.5663 1.5717 1.5756 1.5782 1.9312 1.9438 2.0247 2.0306 2.1360 2.1540 2.3219 2.3439 2.5452 2.5572 2.8778 2.8965 2.9605 2.9885 3.7950 3.7972 4.5242 4.5264 4.5552 4.5586 5.5731 5.5781 7.7369 7.7442 8.0675 8.0696 8.7466 8.7497 9.4363 9.4547 9.6953 9.6983 k = 0.0000 0.0000 0.0000 ( 11295 PWs) bands (ev): -8.3546 -8.3546 -7.8426 -7.8426 -7.8389 -7.8389 -7.8341 -7.8341 -3.1167 -3.1167 -3.0944 -3.0944 -1.5460 -1.5460 -1.4586 -1.4586 -1.4069 -1.4069 -0.8187 -0.8187 0.3542 0.3542 0.5800 0.5800 0.6466 0.6466 0.6638 0.6638 0.7572 0.7572 0.9516 0.9516 1.0871 1.0871 1.1750 1.1750 1.3453 1.3453 1.5725 1.5725 1.5749 1.5749 1.9422 1.9422 2.0253 2.0253 2.1411 2.1411 2.3318 2.3318 2.5503 2.5503 2.8869 2.8869 2.9731 2.9731 3.7981 3.7981 4.5284 4.5284 4.5623 4.5623 5.5678 5.5678 7.7387 7.7387 8.0649 8.0649 8.7488 8.7488 9.4457 9.4457 9.6966 9.6966 k = 0.0000 0.0000 0.0000 ( 11295 PWs) bands (ev): -8.3546 -8.3546 -7.8426 -7.8426 -7.8389 -7.8389 -7.8341 -7.8341 -3.1167 -3.1167 -3.0944 -3.0944 -1.5460 -1.5460 -1.4586 -1.4586 -1.4069 -1.4069 -0.8187 -0.8187 0.3542 0.3542 0.5800 0.5800 0.6466 0.6466 0.6638 0.6638 0.7572 0.7572 0.9516 0.9516 1.0871 1.0871 1.1750 1.1750 1.3453 1.3453 1.5725 1.5725 1.5749 1.5749 1.9422 1.9422 2.0253 2.0253 2.1411 2.1411 2.3318 2.3318 2.5503 2.5503 2.8869 2.8869 2.9731 2.9731 3.7981 3.7981 4.5284 4.5284 4.5623 4.5623 5.5678 5.5678 7.7387 7.7387 8.0649 8.0649 8.7488 8.7488 9.4457 9.4457 9.6966 9.6966 k = 0.0200 0.0142-0.0000 ( 11307 PWs) bands (ev): -8.3541 -8.3541 -7.8430 -7.8430 -7.8390 -7.8390 -7.8342 -7.8342 -3.1168 -3.1168 -3.0945 -3.0945 -1.5463 -1.5463 -1.4586 -1.4586 -1.4069 -1.4069 -0.8191 -0.8191 0.3547 0.3547 0.5795 0.5795 0.6463 0.6463 0.6646 0.6646 0.7571 0.7571 0.9513 0.9513 1.0822 1.0822 1.1795 1.1795 1.3459 1.3459 1.5681 1.5681 1.5802 1.5802 1.9422 1.9422 2.0266 2.0266 2.1421 2.1421 2.3318 2.3318 2.5519 2.5519 2.8879 2.8879 2.9738 2.9738 3.7958 3.7958 4.5218 4.5218 4.5602 4.5602 5.5755 5.5755 7.7379 7.7379 8.0660 8.0660 8.7443 8.7443 9.4376 9.4376 9.6840 9.6840 k = 0.0400 0.0284-0.0000 ( 11331 PWs) bands (ev): -8.3527 -8.3527 -7.8444 -7.8444 -7.8393 -7.8393 -7.8342 -7.8342 -3.1169 -3.1169 -3.0947 -3.0947 -1.5471 -1.5471 -1.4587 -1.4587 -1.4072 -1.4072 -0.8203 -0.8203 0.3560 0.3560 0.5782 0.5782 0.6453 0.6453 0.6670 0.6670 0.7570 0.7570 0.9503 0.9503 1.0702 1.0702 1.1903 1.1903 1.3478 1.3478 1.5636 1.5636 1.5875 1.5875 1.9423 1.9423 2.0304 2.0304 2.1452 2.1452 2.3321 2.3321 2.5567 2.5567 2.8909 2.8909 2.9759 2.9759 3.7890 3.7890 4.5029 4.5029 4.5539 4.5539 5.5982 5.5982 7.7354 7.7354 8.0693 8.0693 8.7312 8.7312 9.4135 9.4135 9.6479 9.6479 k = 0.0600 0.0425-0.0000 ( 11315 PWs) bands (ev): -8.3504 -8.3504 -7.8469 -7.8469 -7.8395 -7.8395 -7.8342 -7.8342 -3.1172 -3.1172 -3.0952 -3.0952 -1.5485 -1.5485 -1.4589 -1.4589 -1.4076 -1.4076 -0.8222 -0.8222 0.3580 0.3580 0.5761 0.5761 0.6438 0.6438 0.6711 0.6711 0.7570 0.7570 0.9488 0.9488 1.0548 1.0549 1.2034 1.2034 1.3516 1.3516 1.5600 1.5600 1.5958 1.5958 1.9426 1.9426 2.0366 2.0366 2.1503 2.1503 2.3326 2.3326 2.5646 2.5646 2.8957 2.8957 2.9797 2.9797 3.7779 3.7779 4.4734 4.4734 4.5434 4.5434 5.6339 5.6339 7.7313 7.7313 8.0748 8.0748 8.7101 8.7101 9.3740 9.3740 9.5928 9.5928 k = 0.0800 0.0567-0.0000 ( 11328 PWs) bands (ev): -8.3471 -8.3471 -7.8506 -7.8506 -7.8396 -7.8396 -7.8343 -7.8343 -3.1175 -3.1175 -3.0958 -3.0958 -1.5503 -1.5503 -1.4592 -1.4592 -1.4082 -1.4082 -0.8247 -0.8247 0.3607 0.3607 0.5731 0.5731 0.6418 0.6418 0.6765 0.6765 0.7573 0.7573 0.9467 0.9467 1.0384 1.0384 1.2156 1.2156 1.3580 1.3580 1.5570 1.5570 1.6050 1.6050 1.9433 1.9433 2.0449 2.0449 2.1573 2.1573 2.3333 2.3333 2.5755 2.5755 2.9020 2.9020 2.9852 2.9852 3.7625 3.7625 4.4354 4.4354 4.5286 4.5286 5.6803 5.6803 7.7255 7.7255 8.0824 8.0824 8.6826 8.6826 9.3207 9.3207 9.5233 9.5233 k = 0.1000 0.0709-0.0000 ( 11324 PWs) bands (ev): -8.3429 -8.3429 -7.8554 -7.8554 -7.8396 -7.8396 -7.8343 -7.8343 -3.1178 -3.1178 -3.0965 -3.0965 -1.5525 -1.5525 -1.4595 -1.4595 -1.4090 -1.4090 -0.8278 -0.8278 0.3638 0.3638 0.5692 0.5692 0.6396 0.6396 0.6827 0.6828 0.7579 0.7579 0.9441 0.9441 1.0221 1.0222 1.2253 1.2253 1.3677 1.3677 1.5549 1.5549 1.6150 1.6150 1.9444 1.9444 2.0551 2.0551 2.1661 2.1661 2.3344 2.3344 2.5891 2.5891 2.9096 2.9096 2.9927 2.9927 3.7431 3.7431 4.3912 4.3912 4.5099 4.5099 5.7349 5.7349 7.7180 7.7180 8.0921 8.0921 8.6500 8.6500 9.2556 9.2556 9.4438 9.4438 k = 0.1200 0.0851-0.0000 ( 11312 PWs) bands (ev): -8.3378 -8.3378 -7.8612 -7.8612 -7.8396 -7.8396 -7.8344 -7.8344 -3.1183 -3.1183 -3.0975 -3.0975 -1.5551 -1.5551 -1.4600 -1.4600 -1.4100 -1.4100 -0.8313 -0.8313 0.3672 0.3672 0.5644 0.5644 0.6373 0.6373 0.6892 0.6892 0.7594 0.7594 0.9410 0.9410 1.0069 1.0069 1.2318 1.2318 1.3809 1.3809 1.5535 1.5535 1.6259 1.6259 1.9461 1.9461 2.0669 2.0669 2.1763 2.1763 2.3358 2.3358 2.6054 2.6054 2.9181 2.9181 3.0027 3.0027 3.7199 3.7199 4.3426 4.3426 4.4874 4.4874 5.7954 5.7954 7.7086 7.7086 8.1037 8.1037 8.6142 8.6142 9.1813 9.1813 9.3575 9.3575 k = 0.1400 0.0993-0.0000 ( 11348 PWs) bands (ev): -8.3319 -8.3319 -7.8680 -7.8680 -7.8396 -7.8396 -7.8345 -7.8345 -3.1188 -3.1188 -3.0985 -3.0985 -1.5580 -1.5580 -1.4606 -1.4606 -1.4113 -1.4113 -0.8351 -0.8351 0.3707 0.3707 0.5586 0.5586 0.6350 0.6350 0.6951 0.6951 0.7620 0.7620 0.9374 0.9374 0.9932 0.9932 1.2352 1.2352 1.3969 1.3969 1.5526 1.5526 1.6373 1.6373 1.9484 1.9484 2.0800 2.0800 2.1879 2.1879 2.3377 2.3377 2.6240 2.6240 2.9271 2.9271 3.0153 3.0153 3.6932 3.6932 4.2911 4.2911 4.4613 4.4613 5.8596 5.8596 7.6976 7.6976 8.1171 8.1171 8.5767 8.5767 9.1007 9.1007 9.2671 9.2671 k = 0.1600 0.1134-0.0000 ( 11372 PWs) bands (ev): -8.3250 -8.3250 -7.8758 -7.8758 -7.8396 -7.8396 -7.8346 -7.8346 -3.1194 -3.1194 -3.0997 -3.0997 -1.5611 -1.5611 -1.4614 -1.4614 -1.4127 -1.4127 -0.8391 -0.8391 0.3741 0.3741 0.5519 0.5519 0.6331 0.6331 0.6995 0.6995 0.7660 0.7660 0.9335 0.9335 0.9816 0.9816 1.2365 1.2365 1.4151 1.4151 1.5524 1.5524 1.6494 1.6494 1.9514 1.9514 2.0941 2.0941 2.2006 2.2006 2.3400 2.3400 2.6448 2.6448 2.9364 2.9364 3.0307 3.0307 3.6636 3.6636 4.2380 4.2380 4.4318 4.4318 5.9259 5.9259 7.6851 7.6851 8.1320 8.1320 8.5391 8.5391 9.0164 9.0164 9.1744 9.1744 k = 0.1800 0.1276-0.0000 ( 11364 PWs) bands (ev): -8.3173 -8.3173 -7.8845 -7.8845 -7.8396 -7.8396 -7.8347 -7.8347 -3.1200 -3.1200 -3.1010 -3.1010 -1.5644 -1.5644 -1.4622 -1.4622 -1.4144 -1.4144 -0.8431 -0.8431 0.3774 0.3774 0.5445 0.5445 0.6316 0.6316 0.7020 0.7020 0.7712 0.7712 0.9295 0.9295 0.9725 0.9725 1.2366 1.2366 1.4343 1.4343 1.5529 1.5529 1.6620 1.6620 1.9550 1.9550 2.1090 2.1090 2.2141 2.2141 2.3430 2.3430 2.6676 2.6676 2.9459 2.9459 3.0491 3.0491 3.6314 3.6314 4.1839 4.1839 4.3992 4.3992 5.9925 5.9925 7.6717 7.6717 8.1483 8.1483 8.5025 8.5025 8.9305 8.9305 9.0812 9.0812 k = 0.2000 0.1418-0.0000 ( 11356 PWs) bands (ev): -8.3088 -8.3088 -7.8942 -7.8942 -7.8395 -7.8395 -7.8348 -7.8348 -3.1206 -3.1206 -3.1023 -3.1023 -1.5677 -1.5677 -1.4632 -1.4632 -1.4164 -1.4164 -0.8470 -0.8470 0.3804 0.3804 0.5365 0.5365 0.6305 0.6305 0.7026 0.7026 0.7766 0.7766 0.9254 0.9254 0.9664 0.9664 1.2367 1.2367 1.4534 1.4534 1.5541 1.5541 1.6752 1.6752 1.9593 1.9593 2.1242 2.1242 2.2280 2.2280 2.3468 2.3468 2.6921 2.6921 2.9557 2.9557 3.0703 3.0703 3.5972 3.5972 4.1294 4.1294 4.3638 4.3638 6.0579 6.0579 7.6581 7.6581 8.1656 8.1656 8.4679 8.4679 8.8450 8.8450 8.9888 8.9888 k = 0.2200 0.1560-0.0000 ( 11360 PWs) bands (ev): -8.2995 -8.2995 -7.9046 -7.9046 -7.8395 -7.8395 -7.8349 -7.8349 -3.1212 -3.1212 -3.1038 -3.1038 -1.5711 -1.5711 -1.4643 -1.4643 -1.4185 -1.4185 -0.8507 -0.8507 0.3832 0.3832 0.5279 0.5279 0.6298 0.6298 0.7016 0.7017 0.7810 0.7810 0.9217 0.9217 0.9631 0.9631 1.2375 1.2375 1.4713 1.4713 1.5560 1.5560 1.6889 1.6889 1.9641 1.9641 2.1393 2.1393 2.2421 2.2421 2.3514 2.3514 2.7182 2.7182 2.9658 2.9658 3.0940 3.0940 3.5615 3.5615 4.0751 4.0751 4.3259 4.3259 6.1207 6.1207 7.6453 7.6453 8.1834 8.1834 8.4358 8.4358 8.7616 8.7616 8.8983 8.8983 k = 0.2400 0.1702-0.0000 ( 11360 PWs) bands (ev): -8.2894 -8.2894 -7.9159 -7.9159 -7.8394 -7.8394 -7.8350 -7.8350 -3.1218 -3.1218 -3.1052 -3.1052 -1.5745 -1.5745 -1.4655 -1.4655 -1.4208 -1.4208 -0.8543 -0.8543 0.3858 0.3858 0.5190 0.5190 0.6295 0.6295 0.6995 0.6995 0.7837 0.7837 0.9184 0.9184 0.9624 0.9624 1.2401 1.2401 1.4872 1.4872 1.5590 1.5590 1.7033 1.7033 1.9693 1.9693 2.1539 2.1539 2.2560 2.2560 2.3571 2.3571 2.7456 2.7456 2.9764 2.9764 3.1202 3.1202 3.5249 3.5249 4.0210 4.0210 4.2858 4.2858 6.1795 6.1795 7.6344 7.6344 8.2010 8.2010 8.4066 8.4066 8.6818 8.6818 8.8108 8.8108 k = 0.2600 0.1843-0.0000 ( 11344 PWs) bands (ev): -8.2786 -8.2786 -7.9279 -7.9279 -7.8394 -7.8394 -7.8351 -7.8351 -3.1224 -3.1224 -3.1068 -3.1068 -1.5777 -1.5777 -1.4667 -1.4667 -1.4233 -1.4233 -0.8575 -0.8575 0.3882 0.3882 0.5100 0.5100 0.6295 0.6295 0.6966 0.6966 0.7841 0.7841 0.9157 0.9157 0.9637 0.9637 1.2453 1.2453 1.5004 1.5004 1.5630 1.5630 1.7184 1.7184 1.9747 1.9747 2.1675 2.1675 2.2697 2.2697 2.3639 2.3639 2.7742 2.7742 2.9876 2.9876 3.1485 3.1485 3.4880 3.4881 3.9674 3.9674 4.2437 4.2437 6.2329 6.2329 7.6270 7.6270 8.2172 8.2172 8.3800 8.3800 8.6074 8.6074 8.7269 8.7269 k = 0.2800 0.1985-0.0000 ( 11352 PWs) bands (ev): -8.2672 -8.2672 -7.9405 -7.9405 -7.8393 -7.8393 -7.8352 -7.8352 -3.1230 -3.1230 -3.1083 -3.1083 -1.5809 -1.5809 -1.4680 -1.4680 -1.4258 -1.4258 -0.8604 -0.8604 0.3904 0.3904 0.5009 0.5009 0.6300 0.6300 0.6931 0.6931 0.7824 0.7824 0.9136 0.9136 0.9659 0.9659 1.2537 1.2537 1.5104 1.5104 1.5676 1.5676 1.7343 1.7343 1.9802 1.9802 2.1795 2.1795 2.2829 2.2829 2.3717 2.3717 2.8037 2.8037 2.9994 2.9994 3.1787 3.1787 3.4514 3.4515 3.9144 3.9144 4.2001 4.2001 6.2800 6.2800 7.6242 7.6242 8.2302 8.2302 8.3557 8.3557 8.5410 8.5410 8.6475 8.6475 k = 0.3000 0.2127-0.0000 ( 11360 PWs) bands (ev): -8.2550 -8.2550 -7.9539 -7.9539 -7.8392 -7.8392 -7.8354 -7.8354 -3.1235 -3.1235 -3.1098 -3.1098 -1.5839 -1.5839 -1.4693 -1.4693 -1.4284 -1.4284 -0.8630 -0.8630 0.3925 0.3925 0.4918 0.4918 0.6307 0.6307 0.6893 0.6893 0.7791 0.7791 0.9120 0.9120 0.9679 0.9679 1.2657 1.2657 1.5176 1.5176 1.5723 1.5723 1.7510 1.7510 1.9856 1.9856 2.1894 2.1894 2.2960 2.2960 2.3803 2.3803 2.8340 2.8340 3.0121 3.0121 3.2106 3.2106 3.4157 3.4157 3.8623 3.8623 4.1553 4.1553 6.3198 6.3198 7.6273 7.6273 8.2372 8.2372 8.3320 8.3320 8.4868 8.4868 8.5731 8.5731 k = 0.3200 0.2269-0.0000 ( 11360 PWs) bands (ev): -8.2422 -8.2422 -7.9677 -7.9677 -7.8392 -7.8392 -7.8355 -7.8355 -3.1240 -3.1240 -3.1113 -3.1113 -1.5867 -1.5867 -1.4706 -1.4706 -1.4309 -1.4309 -0.8652 -0.8652 0.3946 0.3946 0.4830 0.4830 0.6318 0.6318 0.6853 0.6853 0.7746 0.7746 0.9111 0.9111 0.9691 0.9691 1.2813 1.2813 1.5225 1.5225 1.5761 1.5761 1.7683 1.7683 1.9908 1.9908 2.1968 2.1968 2.3091 2.3091 2.3893 2.3893 2.8647 2.8647 3.0256 3.0256 3.2440 3.2440 3.3812 3.3812 3.8110 3.8110 4.1096 4.1096 6.3520 6.3520 7.6369 7.6369 8.2350 8.2350 8.3060 8.3060 8.4506 8.4506 8.5044 8.5044 k = 0.3400 0.2411-0.0000 ( 11392 PWs) bands (ev): -8.2289 -8.2289 -7.9821 -7.9821 -7.8391 -7.8391 -7.8356 -7.8356 -3.1244 -3.1244 -3.1127 -3.1127 -1.5893 -1.5893 -1.4718 -1.4718 -1.4334 -1.4334 -0.8671 -0.8671 0.3967 0.3967 0.4744 0.4744 0.6331 0.6331 0.6813 0.6813 0.7696 0.7696 0.9107 0.9107 0.9688 0.9688 1.3002 1.3002 1.5256 1.5256 1.5784 1.5784 1.7858 1.7858 1.9956 1.9956 2.2015 2.2015 2.3223 2.3223 2.3982 2.3983 2.8956 2.8956 3.0400 3.0400 3.2785 3.2785 3.3485 3.3485 3.7609 3.7609 4.0634 4.0634 6.3766 6.3766 7.6531 7.6531 8.2212 8.2212 8.2769 8.2769 8.4341 8.4341 8.4428 8.4428 k = 0.3600 0.2552-0.0000 ( 11400 PWs) bands (ev): -8.2151 -8.2151 -7.9969 -7.9969 -7.8390 -7.8390 -7.8358 -7.8358 -3.1247 -3.1247 -3.1141 -3.1141 -1.5916 -1.5916 -1.4731 -1.4731 -1.4357 -1.4357 -0.8687 -0.8687 0.3989 0.3989 0.4663 0.4663 0.6346 0.6346 0.6774 0.6774 0.7643 0.7643 0.9110 0.9110 0.9672 0.9672 1.3218 1.3218 1.5276 1.5276 1.5787 1.5787 1.8031 1.8031 1.9999 1.9999 2.2037 2.2037 2.3358 2.3358 2.4065 2.4065 2.9264 2.9264 3.0552 3.0552 3.3107 3.3107 3.3211 3.3211 3.7122 3.7122 4.0170 4.0170 6.3943 6.3943 7.6756 7.6756 8.1958 8.1958 8.2494 8.2494 8.3849 8.3849 8.4361 8.4361 k = 0.3800 0.2694-0.0000 ( 11392 PWs) bands (ev): -8.2007 -8.2007 -8.0121 -8.0121 -7.8389 -7.8389 -7.8359 -7.8359 -3.1250 -3.1250 -3.1154 -3.1154 -1.5937 -1.5937 -1.4742 -1.4742 -1.4378 -1.4378 -0.8700 -0.8700 0.4012 0.4012 0.4585 0.4585 0.6363 0.6363 0.6738 0.6738 0.7591 0.7591 0.9120 0.9120 0.9643 0.9643 1.3454 1.3454 1.5284 1.5284 1.5770 1.5770 1.8197 1.8197 2.0037 2.0037 2.2037 2.2037 2.3493 2.3493 2.4136 2.4136 2.9564 2.9564 3.0713 3.0713 3.2886 3.2886 3.3511 3.3511 3.6655 3.6655 3.9712 3.9712 6.4059 6.4059 7.7031 7.7031 8.1637 8.1637 8.2254 8.2254 8.3355 8.3355 8.4447 8.4447 k = 0.4000 0.2836-0.0000 ( 11388 PWs) bands (ev): -8.1860 -8.1860 -8.0276 -8.0276 -7.8389 -7.8389 -7.8360 -7.8360 -3.1251 -3.1251 -3.1166 -3.1166 -1.5955 -1.5955 -1.4752 -1.4752 -1.4397 -1.4397 -0.8710 -0.8710 0.4038 0.4038 0.4512 0.4512 0.6381 0.6381 0.6704 0.6704 0.7543 0.7543 0.9136 0.9136 0.9604 0.9604 1.3700 1.3700 1.5281 1.5281 1.5735 1.5735 1.8352 1.8352 2.0069 2.0069 2.2021 2.2021 2.3626 2.3626 2.4191 2.4191 2.9850 2.9850 3.0881 3.0881 3.2632 3.2632 3.3873 3.3873 3.6212 3.6212 3.9263 3.9263 6.4128 6.4128 7.7340 7.7340 8.1316 8.1316 8.2030 8.2030 8.2931 8.2931 8.4568 8.4568 k = 0.4200 0.2978-0.0000 ( 11380 PWs) bands (ev): -8.1709 -8.1709 -8.0434 -8.0434 -7.8388 -7.8388 -7.8361 -7.8361 -3.1252 -3.1252 -3.1176 -3.1176 -1.5969 -1.5969 -1.4761 -1.4761 -1.4413 -1.4413 -0.8718 -0.8718 0.4066 0.4066 0.4444 0.4444 0.6400 0.6400 0.6674 0.6674 0.7501 0.7501 0.9159 0.9159 0.9559 0.9559 1.3949 1.3949 1.5262 1.5262 1.5685 1.5685 1.8488 1.8488 2.0096 2.0096 2.1994 2.1994 2.3753 2.3753 2.4226 2.4226 3.0114 3.0114 3.1048 3.1048 3.2410 3.2410 3.4228 3.4228 3.5806 3.5806 3.8835 3.8835 6.4163 6.4163 7.7661 7.7661 8.1034 8.1034 8.1813 8.1813 8.2580 8.2580 8.4693 8.4693 k = 0.4400 0.3120-0.0000 ( 11392 PWs) bands (ev): -8.1555 -8.1555 -8.0593 -8.0593 -7.8388 -7.8388 -7.8362 -7.8362 -3.1252 -3.1252 -3.1185 -3.1185 -1.5981 -1.5981 -1.4768 -1.4768 -1.4425 -1.4425 -0.8724 -0.8724 0.4096 0.4096 0.4382 0.4382 0.6417 0.6417 0.6648 0.6648 0.7465 0.7465 0.9186 0.9186 0.9511 0.9511 1.4193 1.4193 1.5218 1.5218 1.5632 1.5632 1.8602 1.8602 2.0116 2.0116 2.1964 2.1964 2.3872 2.3872 2.4239 2.4239 3.0348 3.0348 3.1200 3.1200 3.2230 3.2230 3.4560 3.4560 3.5450 3.5450 3.8441 3.8441 6.4176 6.4176 7.7969 7.7969 8.0809 8.0809 8.1606 8.1606 8.2301 8.2301 8.4805 8.4805 k = 0.4600 0.3261-0.0000 ( 11420 PWs) bands (ev): -8.1399 -8.1399 -8.0753 -8.0753 -7.8387 -7.8387 -7.8362 -7.8362 -3.1252 -3.1252 -3.1191 -3.1191 -1.5989 -1.5989 -1.4773 -1.4773 -1.4435 -1.4435 -0.8728 -0.8728 0.4129 0.4129 0.4325 0.4325 0.6431 0.6431 0.6627 0.6627 0.7438 0.7438 0.9216 0.9216 0.9465 0.9465 1.4424 1.4424 1.5138 1.5138 1.5588 1.5588 1.8687 1.8687 2.0131 2.0131 2.1937 2.1937 2.3978 2.3979 2.4230 2.4230 3.0542 3.0542 3.1308 3.1308 3.2108 3.2108 3.4832 3.4832 3.5181 3.5181 3.8105 3.8105 6.4177 6.4177 7.8231 7.8231 8.0651 8.0651 8.1425 8.1425 8.2098 8.2098 8.4894 8.4894 k = 0.4800 0.3403-0.0000 ( 11436 PWs) bands (ev): -8.1242 -8.1242 -8.0912 -8.0912 -7.8387 -7.8387 -7.8363 -7.8363 -3.1252 -3.1252 -3.1195 -3.1195 -1.5994 -1.5994 -1.4776 -1.4776 -1.4440 -1.4440 -0.8730 -0.8730 0.4164 0.4164 0.4277 0.4277 0.6440 0.6440 0.6614 0.6614 0.7422 0.7422 0.9243 0.9243 0.9426 0.9426 1.4631 1.4631 1.5023 1.5023 1.5562 1.5562 1.8740 1.8740 2.0140 2.0140 2.1918 2.1918 2.4070 2.4070 2.4198 2.4198 3.0680 3.0680 3.1351 3.1351 3.2055 3.2055 3.4892 3.4892 3.5138 3.5138 3.7869 3.7869 6.4174 6.4174 7.8410 7.8410 8.0560 8.0560 8.1294 8.1294 8.1975 8.1975 8.4950 8.4950 k = 0.5000 0.3545-0.0000 ( 11464 PWs) bands (ev): -8.1116 -8.1116 -8.1039 -8.1039 -7.8387 -7.8387 -7.8363 -7.8363 -3.1252 -3.1252 -3.1197 -3.1197 -1.5996 -1.5996 -1.4777 -1.4777 -1.4442 -1.4442 -0.8731 -0.8731 0.4185 0.4185 0.4250 0.4250 0.6443 0.6443 0.6609 0.6609 0.7416 0.7416 0.9256 0.9256 0.9410 0.9410 1.4758 1.4758 1.4926 1.4926 1.5553 1.5553 1.8758 1.8758 2.0143 2.0143 2.1911 2.1911 2.4139 2.4139 2.4149 2.4149 3.0733 3.0733 3.1355 3.1355 3.2045 3.2045 3.4847 3.4847 3.5194 3.5194 3.7781 3.7781 6.4173 6.4173 7.8475 7.8475 8.0532 8.0532 8.1246 8.1246 8.1933 8.1933 8.4970 8.4970 k = 0.5000 0.3545-0.0000 ( 11464 PWs) bands (ev): -8.1116 -8.1116 -8.1039 -8.1039 -7.8387 -7.8387 -7.8363 -7.8363 -3.1252 -3.1252 -3.1197 -3.1197 -1.5996 -1.5996 -1.4777 -1.4777 -1.4442 -1.4442 -0.8731 -0.8731 0.4185 0.4185 0.4250 0.4250 0.6443 0.6443 0.6609 0.6609 0.7416 0.7416 0.9256 0.9256 0.9410 0.9410 1.4758 1.4758 1.4926 1.4926 1.5553 1.5553 1.8758 1.8758 2.0143 2.0143 2.1911 2.1911 2.4139 2.4139 2.4149 2.4149 3.0733 3.0733 3.1355 3.1355 3.2045 3.2045 3.4847 3.4847 3.5194 3.5194 3.7781 3.7781 6.4173 6.4173 7.8475 7.8475 8.0532 8.0532 8.1246 8.1246 8.1933 8.1933 8.4970 8.4970 k = 0.4901 0.3684 0.0170 ( 11454 PWs) bands (ev): -8.1115 -8.1112 -8.1037 -8.1036 -7.8391 -7.8388 -7.8365 -7.8364 -3.1262 -3.1243 -3.1198 -3.1194 -1.6013 -1.5981 -1.4811 -1.4742 -1.4456 -1.4426 -0.8742 -0.8711 0.4175 0.4190 0.4251 0.4257 0.6411 0.6459 0.6593 0.6625 0.7382 0.7443 0.9231 0.9282 0.9390 0.9455 1.4730 1.4762 1.4904 1.4955 1.5514 1.5581 1.8741 1.8768 2.0054 2.0208 2.1856 2.1972 2.4041 2.4098 2.4203 2.4266 3.0633 3.0747 3.1277 3.1438 3.2042 3.2080 3.4667 3.4954 3.5148 3.5315 3.7731 3.7827 6.4150 6.4212 7.8437 7.8559 8.0500 8.0602 8.1229 8.1292 8.1947 8.1967 8.4950 8.5078 k = 0.4803 0.3823 0.0341 ( 11416 PWs) bands (ev): -8.1109 -8.1103 -8.1030 -8.1028 -7.8402 -7.8399 -7.8371 -7.8367 -3.1274 -3.1236 -3.1198 -3.1189 -1.6030 -1.5968 -1.4842 -1.4706 -1.4466 -1.4406 -0.8743 -0.8681 0.4163 0.4189 0.4257 0.4269 0.6364 0.6455 0.6580 0.6640 0.7341 0.7462 0.9203 0.9312 0.9408 0.9517 1.4680 1.4742 1.4888 1.4986 1.5464 1.5601 1.8719 1.8770 1.9949 2.0246 2.1806 2.2040 2.3967 2.4061 2.4269 2.4411 3.0468 3.0685 3.1204 3.1501 3.2056 3.2163 3.4481 3.4869 3.5296 3.5442 3.7679 3.7871 6.4145 6.4268 7.8445 7.8688 8.0509 8.0709 8.1248 8.1363 8.2008 8.2049 8.5020 8.5274 k = 0.4704 0.3962 0.0511 ( 11398 PWs) bands (ev): -8.1099 -8.1089 -8.1019 -8.1016 -7.8424 -7.8422 -7.8376 -7.8367 -3.1286 -3.1232 -3.1198 -3.1181 -1.6048 -1.5956 -1.4870 -1.4670 -1.4472 -1.4384 -0.8734 -0.8642 0.4149 0.4183 0.4268 0.4285 0.6304 0.6433 0.6567 0.6652 0.7295 0.7475 0.9172 0.9351 0.9455 0.9591 1.4606 1.4706 1.4872 1.5014 1.5401 1.5615 1.8690 1.8763 1.9830 2.0250 2.1760 2.2115 2.3923 2.4037 2.4340 2.4573 3.0266 3.0569 3.1121 3.1524 3.2067 3.2296 3.4296 3.4739 3.5490 3.5561 3.7632 3.7915 6.4154 6.4341 7.8500 7.8859 8.0557 8.0844 8.1311 8.1456 8.2116 8.2182 8.5178 8.5557 k = 0.4606 0.4101 0.0681 ( 11388 PWs) bands (ev): -8.1084 -8.1071 -8.1002 -8.0998 -7.8458 -7.8455 -7.8380 -7.8365 -3.1298 -3.1230 -3.1196 -3.1172 -1.6067 -1.5946 -1.4895 -1.4634 -1.4475 -1.4360 -0.8715 -0.8595 0.4134 0.4175 0.4281 0.4306 0.6234 0.6394 0.6555 0.6659 0.7246 0.7485 0.9140 0.9407 0.9517 0.9677 1.4505 1.4663 1.4847 1.5033 1.5333 1.5629 1.8655 1.8747 1.9703 2.0219 2.1717 2.2199 2.3909 2.4029 2.4415 2.4750 3.0042 3.0421 3.1022 3.1516 3.2062 3.2458 3.4113 3.4597 3.5665 3.5692 3.7597 3.7962 6.4178 6.4429 7.8600 7.9067 8.0641 8.1001 8.1423 8.1569 8.2275 8.2371 8.5423 8.5926 k = 0.4507 0.4240 0.0852 ( 11376 PWs) bands (ev): -8.1064 -8.1048 -8.0981 -8.0976 -7.8502 -7.8498 -7.8383 -7.8364 -3.1310 -3.1230 -3.1195 -3.1161 -1.6087 -1.5937 -1.4917 -1.4598 -1.4473 -1.4334 -0.8686 -0.8541 0.4118 0.4165 0.4296 0.4330 0.6154 0.6340 0.6541 0.6660 0.7196 0.7494 0.9110 0.9479 0.9585 0.9774 1.4376 1.4616 1.4807 1.5035 1.5273 1.5643 1.8616 1.8721 1.9570 2.0153 2.1678 2.2289 2.3928 2.4037 2.4491 2.4940 2.9806 3.0254 3.0906 3.1491 3.2032 3.2619 3.3936 3.4445 3.5743 3.5895 3.7586 3.8018 6.4215 6.4533 7.8744 7.9308 8.0760 8.1173 8.1582 8.1704 8.2487 8.2621 8.5752 8.6379 k = 0.4409 0.4379 0.1022 ( 11386 PWs) bands (ev): -8.1040 -8.1021 -8.0956 -8.0949 -7.8555 -7.8551 -7.8385 -7.8362 -3.1322 -3.1231 -3.1192 -3.1149 -1.6106 -1.5931 -1.4935 -1.4563 -1.4468 -1.4306 -0.8647 -0.8479 0.4102 0.4156 0.4312 0.4356 0.6068 0.6274 0.6524 0.6655 0.7147 0.7504 0.9084 0.9561 0.9657 0.9881 1.4219 1.4567 1.4738 1.5012 1.5238 1.5661 1.8571 1.8684 1.9436 2.0055 2.1641 2.2381 2.3978 2.4064 2.4569 2.5142 2.9565 3.0076 3.0778 3.1460 3.1974 3.2753 3.3773 3.4281 3.5791 3.6096 3.7609 3.8086 6.4264 6.4650 7.8929 7.9572 8.0915 8.1362 8.1776 8.1860 8.2758 8.2937 8.6163 8.6912 k = 0.4310 0.4518 0.1192 ( 11388 PWs) bands (ev): -8.1012 -8.0990 -8.0926 -8.0918 -7.8618 -7.8613 -7.8387 -7.8360 -3.1334 -3.1233 -3.1189 -3.1137 -1.6126 -1.5926 -1.4950 -1.4530 -1.4459 -1.4277 -0.8599 -0.8412 0.4085 0.4147 0.4329 0.4385 0.5976 0.6199 0.6503 0.6645 0.7101 0.7519 0.9062 0.9644 0.9735 0.9996 1.4035 1.4517 1.4629 1.4978 1.5228 1.5685 1.8518 1.8635 1.9302 1.9929 2.1608 2.2470 2.4046 2.4122 2.4645 2.5353 2.9324 2.9891 3.0643 3.1431 3.1887 3.2827 3.3640 3.4103 3.5811 3.6293 3.7670 3.8170 6.4322 6.4778 7.9152 7.9850 8.1108 8.1570 8.1991 8.2042 8.3095 8.3321 8.6653 8.7524 k = 0.4212 0.4657 0.1363 ( 11386 PWs) bands (ev): -8.0979 -8.0955 -8.0891 -8.0882 -7.8689 -7.8683 -7.8389 -7.8358 -3.1346 -3.1235 -3.1185 -3.1125 -1.6144 -1.5923 -1.4960 -1.4499 -1.4446 -1.4247 -0.8543 -0.8339 0.4069 0.4139 0.4349 0.4416 0.5880 0.6115 0.6477 0.6630 0.7060 0.7539 0.9044 0.9719 0.9828 1.0116 1.3826 1.4465 1.4482 1.4948 1.5231 1.5713 1.8453 1.8575 1.9173 1.9782 2.1579 2.2553 2.4109 2.4231 2.4719 2.5571 2.9088 2.9703 3.0505 3.1410 3.1774 3.2810 3.3552 3.3915 3.5813 3.6482 3.7767 3.8270 6.4390 6.4916 7.9410 8.0130 8.1344 8.1795 8.2219 8.2251 8.3501 8.3774 8.7217 8.8210 k = 0.4113 0.4795 0.1533 ( 11396 PWs) bands (ev): -8.0943 -8.0917 -8.0853 -8.0841 -7.8768 -7.8761 -7.8391 -7.8356 -3.1357 -3.1238 -3.1180 -3.1112 -1.6161 -1.5921 -1.4967 -1.4469 -1.4431 -1.4217 -0.8478 -0.8262 0.4053 0.4134 0.4368 0.4449 0.5780 0.6026 0.6447 0.6611 0.7025 0.7564 0.9030 0.9780 0.9933 1.0238 1.3594 1.4303 1.4413 1.4927 1.5236 1.5745 1.8371 1.8510 1.9050 1.9617 2.1555 2.2625 2.4168 2.4386 2.4789 2.5794 2.8863 2.9513 3.0365 3.1396 3.1643 3.2703 3.3482 3.3733 3.5815 3.6661 3.7892 3.8387 6.4465 6.5061 7.9698 8.0404 8.1622 8.2034 8.2456 8.2494 8.3978 8.4294 8.7851 8.8967 k = 0.4015 0.4934 0.1703 ( 11388 PWs) bands (ev): -8.0904 -8.0876 -8.0810 -8.0797 -7.8854 -7.8846 -7.8393 -7.8355 -3.1368 -3.1242 -3.1174 -3.1100 -1.6177 -1.5920 -1.4970 -1.4439 -1.4413 -1.4186 -0.8405 -0.8182 0.4037 0.4131 0.4389 0.4484 0.5679 0.5935 0.6412 0.6590 0.6997 0.7596 0.9021 0.9831 1.0044 1.0361 1.3344 1.4104 1.4359 1.4913 1.5241 1.5781 1.8265 1.8442 1.8932 1.9442 2.1536 2.2687 2.4228 2.4574 2.4852 2.6019 2.8658 2.9321 3.0222 3.1358 3.1536 3.2542 3.3351 3.3602 3.5832 3.6826 3.8035 3.8518 6.4546 6.5211 8.0014 8.0666 8.1935 8.2280 8.2696 8.2786 8.4523 8.4875 8.8551 8.9790 k = 0.3916 0.5073 0.1874 ( 11390 PWs) bands (ev): -8.0862 -8.0832 -8.0763 -8.0748 -7.8947 -7.8938 -7.8395 -7.8353 -3.1378 -3.1246 -3.1168 -3.1087 -1.6191 -1.5920 -1.4970 -1.4411 -1.4395 -1.4155 -0.8326 -0.8098 0.4022 0.4131 0.4409 0.4519 0.5577 0.5841 0.6374 0.6565 0.6978 0.7634 0.9015 0.9873 1.0156 1.0482 1.3079 1.3893 1.4303 1.4905 1.5243 1.5820 1.8137 1.8373 1.8819 1.9258 2.1525 2.2738 2.4288 2.4783 2.4907 2.6240 2.8481 2.9130 3.0073 3.1229 3.1526 3.2357 3.3148 3.3517 3.5871 3.6974 3.8185 3.8661 6.4632 6.5363 8.0352 8.0916 8.2261 8.2533 8.2949 8.3131 8.5132 8.5514 8.9313 9.0676 k = 0.3818 0.5212 0.2044 ( 11388 PWs) bands (ev): -8.0818 -8.0787 -8.0713 -8.0695 -7.9045 -7.9036 -7.8396 -7.8351 -3.1388 -3.1250 -3.1161 -3.1075 -1.6203 -1.5921 -1.4966 -1.4383 -1.4375 -1.4125 -0.8242 -0.8013 0.4008 0.4133 0.4429 0.4554 0.5476 0.5749 0.6334 0.6538 0.6967 0.7678 0.9011 0.9905 1.0265 1.0599 1.2803 1.3675 1.4247 1.4901 1.5242 1.5860 1.7989 1.8302 1.8706 1.9070 2.1520 2.2780 2.4347 2.4927 2.5030 2.6450 2.8346 2.8942 2.9914 3.1055 3.1564 3.2168 3.2924 3.3436 3.5931 3.7105 3.8336 3.8810 6.4724 6.5516 8.0709 8.1156 8.2573 8.2791 8.3234 8.3525 8.5800 8.6206 9.0131 9.1620 k = 0.3719 0.5351 0.2214 ( 11384 PWs) bands (ev): -8.0773 -8.0741 -8.0658 -8.0638 -7.9148 -7.9137 -7.8398 -7.8350 -3.1396 -3.1255 -3.1154 -3.1063 -1.6213 -1.5922 -1.4959 -1.4363 -1.4349 -1.4095 -0.8153 -0.7927 0.3995 0.4139 0.4447 0.4590 0.5377 0.5658 0.6295 0.6509 0.6966 0.7729 0.9011 0.9927 1.0366 1.0712 1.2521 1.3458 1.4191 1.4901 1.5239 1.5900 1.7828 1.8227 1.8591 1.8881 2.1521 2.2814 2.4405 2.4948 2.5261 2.6634 2.8266 2.8761 2.9738 3.0879 3.1593 3.1994 3.2719 3.3360 3.6004 3.7216 3.8481 3.8962 6.4820 6.5667 8.1082 8.1386 8.2854 8.3047 8.3564 8.3964 8.6522 8.6946 9.1000 9.2616 k = 0.3621 0.5490 0.2384 ( 11374 PWs) bands (ev): -8.0728 -8.0696 -8.0601 -8.0577 -7.9254 -7.9242 -7.8399 -7.8349 -3.1404 -3.1259 -3.1146 -3.1051 -1.6219 -1.5924 -1.4950 -1.4349 -1.4319 -1.4065 -0.8061 -0.7841 0.3983 0.4148 0.4463 0.4623 0.5282 0.5571 0.6256 0.6477 0.6974 0.7787 0.9011 0.9936 1.0456 1.0819 1.2237 1.3247 1.4135 1.4905 1.5232 1.5940 1.7658 1.8146 1.8472 1.8693 2.1526 2.2842 2.4459 2.4942 2.5496 2.6780 2.8253 2.8595 2.9541 3.0719 3.1539 3.1858 3.2585 3.3305 3.6081 3.7307 3.8614 3.9110 6.4921 6.5814 8.1462 8.1608 8.3102 8.3300 8.3941 8.4439 8.7289 8.7727 9.1913 9.3661 k = 0.3522 0.5629 0.2555 ( 11374 PWs) bands (ev): -8.0684 -8.0653 -8.0539 -8.0513 -7.9360 -7.9346 -7.8401 -7.8347 -3.1410 -3.1264 -3.1137 -3.1040 -1.6224 -1.5925 -1.4938 -1.4336 -1.4287 -1.4037 -0.7967 -0.7756 0.3972 0.4159 0.4476 0.4654 0.5192 0.5487 0.6221 0.6443 0.6990 0.7852 0.9013 0.9933 1.0530 1.0919 1.1957 1.3050 1.4080 1.4912 1.5222 1.5977 1.7483 1.8059 1.8347 1.8511 2.1533 2.2863 2.4510 2.4910 2.5717 2.6876 2.8270 2.8487 2.9326 3.0591 3.1378 3.1724 3.2585 3.3289 3.6152 3.7376 3.8730 3.9249 6.5026 6.5956 8.1786 8.1875 8.3320 8.3561 8.4350 8.4937 8.8096 8.8543 9.2863 9.4748 k = 0.3424 0.5768 0.2725 ( 11382 PWs) bands (ev): -8.0646 -8.0617 -8.0475 -8.0446 -7.9465 -7.9449 -7.8402 -7.8346 -3.1416 -3.1268 -3.1127 -3.1029 -1.6225 -1.5927 -1.4925 -1.4327 -1.4254 -1.4010 -0.7872 -0.7673 0.3962 0.4170 0.4488 0.4679 0.5114 0.5409 0.6189 0.6406 0.7015 0.7925 0.9014 0.9914 1.0586 1.1010 1.1686 1.2871 1.4026 1.4920 1.5207 1.6012 1.7307 1.7964 1.8215 1.8339 2.1540 2.2879 2.4549 2.4861 2.5914 2.6926 2.8186 2.8552 2.9104 3.0512 3.1162 3.1547 3.2713 3.3325 3.6210 3.7423 3.8826 3.9375 6.5136 6.6091 8.1973 8.2254 8.3512 8.3845 8.4777 8.5447 8.8931 8.9388 9.3840 9.5870 k = 0.3325 0.5907 0.2895 ( 11390 PWs) bands (ev): -8.0616 -8.0590 -8.0408 -8.0376 -7.9563 -7.9544 -7.8403 -7.8345 -3.1420 -3.1272 -3.1117 -3.1018 -1.6223 -1.5927 -1.4909 -1.4320 -1.4221 -1.3985 -0.7777 -0.7593 0.3952 0.4180 0.4499 0.4695 0.5053 0.5336 0.6162 0.6366 0.7047 0.8006 0.9015 0.9877 1.0621 1.1088 1.1431 1.2718 1.3976 1.4930 1.5188 1.6042 1.7132 1.7857 1.8077 1.8184 2.1541 2.2889 2.4559 2.4811 2.6077 2.6939 2.8049 2.8675 2.8931 3.0496 3.0918 3.1358 3.2917 3.3422 3.6251 3.7448 3.8898 3.9483 6.5249 6.6217 8.2121 8.2620 8.3698 8.4154 8.5210 8.5956 8.9785 9.0253 9.4830 9.7017 k = 0.3227 0.6046 0.3066 ( 11382 PWs) bands (ev): -8.0601 -8.0578 -8.0337 -8.0303 -7.9648 -7.9626 -7.8404 -7.8345 -3.1423 -3.1276 -3.1107 -3.1009 -1.6217 -1.5927 -1.4893 -1.4315 -1.4189 -1.3961 -0.7685 -0.7516 0.3942 0.4185 0.4512 0.4696 0.5015 0.5271 0.6139 0.6325 0.7087 0.8094 0.9014 0.9823 1.0633 1.1121 1.1228 1.2594 1.3930 1.4940 1.5165 1.6065 1.6962 1.7734 1.7942 1.8046 2.1536 2.2895 2.4510 2.4791 2.6199 2.6924 2.7909 2.8581 2.9021 3.0547 3.0666 3.1196 3.3156 3.3585 3.6270 3.7453 3.8945 3.9568 6.5367 6.6333 8.2231 8.2932 8.3914 8.4489 8.5640 8.6453 9.0644 9.1127 9.5811 9.8158 k = 0.3128 0.6185 0.3236 ( 11384 PWs) bands (ev): -8.0606 -8.0588 -8.0264 -8.0227 -7.9714 -7.9688 -7.8406 -7.8344 -3.1424 -3.1279 -3.1097 -3.0999 -1.6209 -1.5926 -1.4875 -1.4312 -1.4157 -1.3940 -0.7595 -0.7444 0.3931 0.4183 0.4528 0.4683 0.5004 0.5212 0.6119 0.6282 0.7132 0.8187 0.9011 0.9752 1.0624 1.0955 1.1234 1.2500 1.3888 1.4949 1.5139 1.6080 1.6799 1.7593 1.7816 1.7925 2.1520 2.2899 2.4406 2.4789 2.6277 2.6879 2.7774 2.8421 2.9203 3.0395 3.0685 3.1096 3.3402 3.3817 3.6264 3.7439 3.8964 3.9628 6.5487 6.6438 8.2299 8.3143 8.4204 8.4849 8.6061 8.6929 9.1492 9.1998 9.6743 9.9019 k = 0.3128 0.6185 0.3236 ( 11384 PWs) bands (ev): -8.0606 -8.0588 -8.0264 -8.0227 -7.9714 -7.9688 -7.8406 -7.8344 -3.1424 -3.1279 -3.1097 -3.0999 -1.6209 -1.5926 -1.4875 -1.4312 -1.4157 -1.3940 -0.7595 -0.7444 0.3931 0.4183 0.4528 0.4683 0.5004 0.5212 0.6119 0.6282 0.7132 0.8187 0.9011 0.9752 1.0624 1.0955 1.1234 1.2500 1.3888 1.4949 1.5139 1.6080 1.6799 1.7593 1.7816 1.7925 2.1520 2.2899 2.4406 2.4789 2.6277 2.6879 2.7774 2.8421 2.9203 3.0395 3.0685 3.1096 3.3402 3.3817 3.6264 3.7439 3.8964 3.9628 6.5487 6.6438 8.2299 8.3143 8.4204 8.4849 8.6061 8.6929 9.1492 9.1998 9.6743 9.9019 k = 0.2905 0.6122 0.3314 ( 11383 PWs) bands (ev): -8.0633 -8.0616 -8.0221 -8.0184 -7.9729 -7.9699 -7.8407 -7.8345 -3.1424 -3.1281 -3.1091 -3.0995 -1.6203 -1.5926 -1.4865 -1.4312 -1.4141 -1.3931 -0.7555 -0.7412 0.3925 0.4179 0.4535 0.4676 0.5006 0.5190 0.6109 0.6264 0.7158 0.8235 0.9008 0.9706 1.0611 1.0876 1.1252 1.2458 1.3862 1.4928 1.5138 1.6084 1.6740 1.7517 1.7759 1.7885 2.1493 2.2874 2.4346 2.4794 2.6292 2.6837 2.7730 2.8377 2.9279 3.0272 3.0781 3.1124 3.3516 3.3940 3.6200 3.7372 3.9004 3.9682 6.5542 6.6478 8.2312 8.3174 8.4363 8.5058 8.6280 8.7156 9.1881 9.2395 9.7134 9.8984 k = 0.2681 0.6058 0.3391 ( 11390 PWs) bands (ev): -8.0681 -8.0664 -8.0180 -8.0147 -7.9716 -7.9684 -7.8412 -7.8349 -3.1423 -3.1284 -3.1084 -3.0991 -1.6195 -1.5925 -1.4852 -1.4314 -1.4125 -1.3922 -0.7515 -0.7380 0.3919 0.4173 0.4540 0.4672 0.5008 0.5174 0.6093 0.6249 0.7195 0.8291 0.9000 0.9640 1.0591 1.0823 1.1267 1.2406 1.3819 1.4880 1.5143 1.6083 1.6708 1.7429 1.7699 1.7864 2.1428 2.2801 2.4281 2.4807 2.6281 2.6795 2.7718 2.8370 2.9330 3.0187 3.0922 3.1224 3.3635 3.4060 3.6046 3.7214 3.9097 3.9781 6.5597 6.6509 8.2317 8.3150 8.4539 8.5339 8.6543 8.7413 9.2276 9.2793 9.7491 9.8831 k = 0.2458 0.5995 0.3469 ( 11390 PWs) bands (ev): -8.0734 -8.0718 -8.0159 -8.0133 -7.9672 -7.9636 -7.8419 -7.8356 -3.1421 -3.1288 -3.1075 -3.0986 -1.6185 -1.5925 -1.4835 -1.4318 -1.4107 -1.3913 -0.7474 -0.7349 0.3913 0.4166 0.4542 0.4672 0.5010 0.5163 0.6073 0.6239 0.7238 0.8353 0.8979 0.9564 1.0569 1.0795 1.1279 1.2346 1.3766 1.4825 1.5138 1.6078 1.6698 1.7337 1.7637 1.7857 2.1327 2.2683 2.4212 2.4812 2.6253 2.6786 2.7727 2.8377 2.9357 3.0166 3.1098 3.1375 3.3753 3.4170 3.5839 3.7006 3.9201 3.9890 6.5653 6.6532 8.2321 8.3099 8.4742 8.5674 8.6831 8.7695 9.2667 9.3185 9.7794 9.8696 k = 0.2235 0.5932 0.3546 ( 11382 PWs) bands (ev): -8.0787 -8.0772 -8.0159 -8.0139 -7.9603 -7.9564 -7.8430 -7.8366 -3.1418 -3.1292 -3.1066 -3.0982 -1.6173 -1.5926 -1.4816 -1.4325 -1.4088 -1.3905 -0.7433 -0.7318 0.3907 0.4158 0.4541 0.4676 0.5009 0.5157 0.6049 0.6232 0.7286 0.8418 0.8937 0.9494 1.0548 1.0788 1.1285 1.2279 1.3708 1.4770 1.5124 1.6067 1.6695 1.7248 1.7579 1.7858 2.1198 2.2527 2.4144 2.4795 2.6236 2.6819 2.7744 2.8377 2.9397 3.0194 3.1273 3.1588 3.3860 3.4265 3.5613 3.6780 3.9287 3.9984 6.5713 6.6549 8.2328 8.3039 8.4979 8.6045 8.7132 8.7997 9.3043 9.3565 9.7981 9.8655 k = 0.2011 0.5868 0.3624 ( 11377 PWs) bands (ev): -8.0838 -8.0824 -8.0173 -8.0158 -7.9520 -7.9478 -7.8444 -7.8381 -3.1414 -3.1298 -3.1055 -3.0978 -1.6160 -1.5929 -1.4794 -1.4333 -1.4069 -1.3899 -0.7393 -0.7288 0.3903 0.4152 0.4536 0.4681 0.5007 0.5154 0.6024 0.6226 0.7334 0.8479 0.8871 0.9448 1.0531 1.0794 1.1288 1.2208 1.3653 1.4716 1.5105 1.6052 1.6682 1.7166 1.7532 1.7861 2.1053 2.2338 2.4081 2.4751 2.6253 2.6886 2.7758 2.8364 2.9472 3.0250 3.1422 3.1865 3.3939 3.4339 3.5400 3.6564 3.9336 4.0049 6.5778 6.6561 8.2344 8.2983 8.5250 8.6430 8.7453 8.8313 9.3394 9.3928 9.8006 9.8736 k = 0.1788 0.5805 0.3702 ( 11368 PWs) bands (ev): -8.0885 -8.0872 -8.0194 -8.0182 -7.9431 -7.9385 -7.8462 -7.8399 -3.1410 -3.1304 -3.1045 -3.0974 -1.6146 -1.5932 -1.4769 -1.4344 -1.4050 -1.3893 -0.7354 -0.7259 0.3900 0.4146 0.4528 0.4687 0.5003 0.5152 0.6000 0.6221 0.7379 0.8509 0.8807 0.9433 1.0518 1.0811 1.1286 1.2136 1.3606 1.4658 1.5091 1.6035 1.6645 1.7088 1.7507 1.7864 2.0904 2.2121 2.4029 2.4685 2.6303 2.6977 2.7759 2.8354 2.9581 3.0322 3.1551 3.2177 3.3967 3.4387 3.5225 3.6390 3.9341 4.0076 6.5848 6.6568 8.2368 8.2935 8.5551 8.6796 8.7811 8.8638 9.3712 9.4274 9.7951 9.8825 k = 0.1564 0.5742 0.3779 ( 11370 PWs) bands (ev): -8.0928 -8.0916 -8.0217 -8.0208 -7.9339 -7.9292 -7.8485 -7.8421 -3.1405 -3.1310 -3.1034 -3.0971 -1.6130 -1.5937 -1.4741 -1.4358 -1.4030 -1.3889 -0.7317 -0.7233 0.3900 0.4141 0.4520 0.4692 0.5000 0.5149 0.5980 0.6214 0.7421 0.8460 0.8806 0.9441 1.0510 1.0830 1.1285 1.2065 1.3572 1.4592 1.5089 1.6015 1.6583 1.7005 1.7508 1.7866 2.0765 2.1887 2.3991 2.4606 2.6374 2.7079 2.7750 2.8360 2.9710 3.0401 3.1669 3.2486 3.3921 3.4430 3.5087 3.6293 3.9299 4.0060 6.5922 6.6572 8.2403 8.2899 8.5873 8.7110 8.8226 8.8970 9.3986 9.4605 9.7893 9.8819 k = 0.1341 0.5678 0.3857 ( 11365 PWs) bands (ev): -8.0965 -8.0955 -8.0240 -8.0232 -7.9250 -7.9200 -7.8511 -7.8448 -3.1400 -3.1317 -3.1023 -3.0969 -1.6114 -1.5944 -1.4712 -1.4374 -1.4010 -1.3887 -0.7283 -0.7209 0.3904 0.4135 0.4513 0.4693 0.4997 0.5144 0.5967 0.6205 0.7457 0.8346 0.8866 0.9461 1.0508 1.0846 1.1289 1.1995 1.3554 1.4513 1.5107 1.5994 1.6505 1.6911 1.7532 1.7866 2.0644 2.1649 2.3966 2.4521 2.6456 2.7171 2.7750 2.8384 2.9846 3.0483 3.1777 3.2747 3.3814 3.4495 3.4964 3.6292 3.9217 4.0000 6.6000 6.6571 8.2446 8.2872 8.6204 8.7356 8.8697 8.9307 9.4211 9.4926 9.7862 9.8706 k = 0.1117 0.5615 0.3934 ( 11369 PWs) bands (ev): -8.0997 -8.0988 -8.0260 -8.0254 -7.9163 -7.9111 -7.8542 -7.8479 -3.1394 -3.1324 -3.1013 -3.0967 -1.6097 -1.5952 -1.4681 -1.4393 -1.3992 -1.3887 -0.7251 -0.7189 0.3912 0.4126 0.4509 0.4689 0.4998 0.5136 0.5961 0.6191 0.7489 0.8213 0.8949 0.9482 1.0513 1.0849 1.1305 1.1928 1.3555 1.4420 1.5147 1.5969 1.6422 1.6807 1.7570 1.7862 2.0550 2.1416 2.3955 2.4435 2.6541 2.7223 2.7789 2.8418 2.9983 3.0562 3.1879 3.2900 3.3716 3.4538 3.4907 3.6369 3.9106 3.9898 6.6079 6.6565 8.2497 8.2853 8.6529 8.7537 8.9196 8.9650 9.4391 9.5235 9.7872 9.8517 k = 0.0894 0.5552 0.4012 ( 11374 PWs) bands (ev): -8.1023 -8.1016 -8.0278 -8.0273 -7.9080 -7.9027 -7.8577 -7.8515 -3.1388 -3.1331 -3.1004 -3.0967 -1.6080 -1.5962 -1.4650 -1.4415 -1.3974 -1.3889 -0.7223 -0.7173 0.3925 0.4113 0.4511 0.4678 0.5002 0.5123 0.5965 0.6172 0.7520 0.8082 0.9042 0.9496 1.0527 1.0835 1.1338 1.1861 1.3577 1.4314 1.5208 1.5934 1.6348 1.6698 1.7614 1.7853 2.0487 2.1197 2.3957 2.4351 2.6625 2.7219 2.7881 2.8448 3.0116 3.0628 3.1975 3.2901 3.3686 3.4445 3.5048 3.6474 3.8988 3.9758 6.6158 6.6553 8.2551 8.2838 8.6835 8.7661 8.9677 8.9996 9.4545 9.5525 9.7923 9.8288 k = 0.0670 0.5489 0.4090 ( 11375 PWs) bands (ev): -8.1043 -8.1038 -8.0292 -8.0289 -7.9003 -7.8950 -7.8616 -7.8556 -3.1381 -3.1338 -3.0995 -3.0967 -1.6063 -1.5973 -1.4617 -1.4438 -1.3957 -1.3892 -0.7198 -0.7161 0.3943 0.4094 0.4520 0.4661 0.5010 0.5108 0.5978 0.6148 0.7552 0.7963 0.9135 0.9496 1.0551 1.0806 1.1387 1.1795 1.3620 1.4201 1.5287 1.5881 1.6296 1.6592 1.7659 1.7840 2.0459 2.1001 2.3972 2.4272 2.6709 2.7174 2.8007 2.8465 3.0244 3.0670 3.2068 3.2794 3.3711 3.4286 3.5320 3.6551 3.8894 3.9588 6.6234 6.6534 8.2606 8.2823 8.7109 8.7734 9.0094 9.0335 9.4706 9.5763 9.7993 9.8081 k = 0.0447 0.5425 0.4167 ( 11372 PWs) bands (ev): -8.1058 -8.1054 -8.0302 -8.0300 -7.8932 -7.8880 -7.8657 -7.8601 -3.1374 -3.1346 -3.0988 -3.0969 -1.6046 -1.5985 -1.4585 -1.4464 -1.3942 -1.3898 -0.7179 -0.7154 0.3965 0.4072 0.4536 0.4638 0.5022 0.5090 0.5999 0.6120 0.7590 0.7858 0.9226 0.9477 1.0584 1.0766 1.1449 1.1728 1.3683 1.4085 1.5381 1.5803 1.6279 1.6493 1.7701 1.7823 2.0465 2.0831 2.3997 2.4200 2.6791 2.7108 2.8140 2.8459 3.0367 3.0677 3.2164 3.2653 3.3755 3.4129 3.5638 3.6552 3.8861 3.9399 6.6305 6.6507 8.2659 8.2805 8.7340 8.7758 9.0424 9.0617 9.4911 9.5875 9.7901 9.8164 k = 0.0223 0.5362 0.4245 ( 11371 PWs) bands (ev): -8.1066 -8.1064 -8.0308 -8.0307 -7.8869 -7.8829 -7.8690 -7.8648 -3.1367 -3.1353 -3.0981 -3.0972 -1.6030 -1.5999 -1.4553 -1.4492 -1.3928 -1.3906 -0.7165 -0.7152 0.3990 0.4045 0.4558 0.4612 0.5037 0.5072 0.6026 0.6089 0.7637 0.7769 0.9310 0.9439 1.0625 1.0719 1.1517 1.1658 1.3765 1.3970 1.5486 1.5705 1.6295 1.6408 1.7739 1.7800 2.0507 2.0691 2.4034 2.4136 2.6873 2.7033 2.8260 2.8424 3.0480 3.0645 3.2268 3.2512 3.3812 3.3995 3.5956 3.6445 3.8910 3.9207 6.6369 6.6470 8.2707 8.2780 8.7523 8.7731 9.0662 9.0779 9.5185 9.5775 9.7967 9.8329 k = 0.0000 0.5299 0.4322 ( 11380 PWs) bands (ev): -8.1068 -8.1068 -8.0310 -8.0310 -7.8826 -7.8826 -7.8687 -7.8687 -3.1360 -3.1360 -3.0976 -3.0976 -1.6014 -1.6014 -1.4522 -1.4522 -1.3916 -1.3916 -0.7155 -0.7155 0.4017 0.4017 0.4584 0.4584 0.5053 0.5053 0.6057 0.6057 0.7695 0.7695 0.9382 0.9382 1.0671 1.0671 1.1587 1.1587 1.3862 1.3862 1.5596 1.5596 1.6340 1.6340 1.7772 1.7772 2.0582 2.0582 2.4080 2.4080 2.6954 2.6954 2.8357 2.8357 3.0576 3.0576 3.2383 3.2383 3.3890 3.3890 3.6237 3.6237 3.9035 3.9035 6.6424 6.6424 8.2748 8.2748 8.7653 8.7653 9.0790 9.0790 9.5503 9.5503 9.8237 9.8237 k = 0.0000 0.5299 0.4322 ( 11380 PWs) bands (ev): -8.1068 -8.1068 -8.0310 -8.0310 -7.8826 -7.8826 -7.8687 -7.8687 -3.1360 -3.1360 -3.0976 -3.0976 -1.6014 -1.6014 -1.4522 -1.4522 -1.3916 -1.3916 -0.7155 -0.7155 0.4017 0.4017 0.4584 0.4584 0.5053 0.5053 0.6057 0.6057 0.7695 0.7695 0.9382 0.9382 1.0671 1.0671 1.1587 1.1587 1.3862 1.3862 1.5596 1.5596 1.6340 1.6340 1.7772 1.7772 2.0582 2.0582 2.4080 2.4080 2.6954 2.6954 2.8357 2.8357 3.0576 3.0576 3.2383 3.2383 3.3890 3.3890 3.6237 3.6237 3.9035 3.9035 6.6424 6.6424 8.2748 8.2748 8.7653 8.7653 9.0790 9.0790 9.5503 9.5503 9.8237 9.8237 k = 0.0100 0.5158 0.4495 ( 11382 PWs) bands (ev): -8.1067 -8.1065 -8.0309 -8.0308 -7.8828 -7.8827 -7.8690 -7.8688 -3.1360 -3.1359 -3.0981 -3.0971 -1.6025 -1.6001 -1.4524 -1.4520 -1.3918 -1.3914 -0.7163 -0.7155 0.3990 0.4042 0.4559 0.4605 0.5003 0.5100 0.6009 0.6107 0.7680 0.7704 0.9331 0.9421 1.0629 1.0689 1.1533 1.1648 1.3783 1.3936 1.5502 1.5664 1.6295 1.6363 1.7644 1.7887 2.0544 2.0664 2.4008 2.4191 2.6842 2.6967 2.8259 2.8525 3.0423 3.0778 3.2297 3.2510 3.3893 3.3929 3.6207 3.6269 3.9013 3.9046 6.6359 6.6446 8.2624 8.2780 8.7496 8.7765 9.0763 9.0867 9.5466 9.5554 9.8230 9.8276 k = 0.0200 0.5017 0.4668 ( 11388 PWs) bands (ev): -8.1060 -8.1058 -8.0306 -8.0302 -7.8833 -7.8830 -7.8697 -7.8694 -3.1359 -3.1357 -3.0985 -3.0966 -1.6033 -1.5986 -1.4525 -1.4518 -1.3918 -1.3910 -0.7178 -0.7161 0.3960 0.4063 0.4530 0.4617 0.4953 0.5142 0.5965 0.6158 0.7659 0.7706 0.9272 0.9447 1.0568 1.0681 1.1492 1.1708 1.3704 1.4006 1.5387 1.5701 1.6235 1.6359 1.7515 1.7978 2.0551 2.0786 2.3965 2.4344 2.6657 2.6884 2.8258 2.8714 3.0341 3.1006 3.2258 3.2668 3.3938 3.4006 3.6179 3.6305 3.8980 3.9046 6.6250 6.6422 8.2420 8.2717 8.7306 8.7810 9.0796 9.0989 9.5448 9.5619 9.8246 9.8321 k = 0.0300 0.4875 0.4841 ( 11378 PWs) bands (ev): -8.1050 -8.1046 -8.0299 -8.0294 -7.8840 -7.8837 -7.8707 -7.8702 -3.1358 -3.1354 -3.0989 -3.0961 -1.6039 -1.5970 -1.4526 -1.4515 -1.3917 -1.3905 -0.7200 -0.7175 0.3926 0.4081 0.4498 0.4620 0.4907 0.5177 0.5927 0.6209 0.7631 0.7701 0.9207 0.9457 1.0491 1.0645 1.1468 1.1765 1.3624 1.4071 1.5259 1.5704 1.6167 1.6324 1.7392 1.8036 2.0606 2.0942 2.3938 2.4538 2.6421 2.6746 2.8338 2.8888 3.0349 3.1243 3.2271 3.2847 3.4025 3.4120 3.6154 3.6347 3.8937 3.9037 6.6100 6.6356 8.2148 8.2563 8.7088 8.7767 9.0892 9.1154 9.5452 9.5698 9.8263 9.8329 k = 0.0400 0.4734 0.5014 ( 11384 PWs) bands (ev): -8.1035 -8.1030 -8.0289 -8.0283 -7.8851 -7.8847 -7.8721 -7.8715 -3.1355 -3.1350 -3.0994 -3.0957 -1.6042 -1.5952 -1.4526 -1.4512 -1.3915 -1.3899 -0.7229 -0.7195 0.3889 0.4097 0.4462 0.4606 0.4871 0.5203 0.5897 0.6257 0.7595 0.7689 0.9140 0.9451 1.0398 1.0586 1.1461 1.1815 1.3546 1.4129 1.5121 1.5673 1.6097 1.6259 1.7276 1.8057 2.0704 2.1126 2.3910 2.4769 2.6156 2.6607 2.8471 2.9033 3.0449 3.1475 3.2338 3.3035 3.4149 3.4267 3.6133 3.6399 3.8884 3.9018 6.5913 6.6249 8.1825 8.2329 8.6835 8.7628 9.1042 9.1364 9.5482 9.5795 9.8270 9.8316 k = 0.0500 0.4593 0.5187 ( 11388 PWs) bands (ev): -8.1016 -8.1009 -8.0277 -8.0269 -7.8865 -7.8860 -7.8739 -7.8731 -3.1352 -3.1345 -3.0997 -3.0952 -1.6043 -1.5932 -1.4526 -1.4508 -1.3912 -1.3893 -0.7263 -0.7222 0.3847 0.4108 0.4421 0.4574 0.4848 0.5219 0.5877 0.6304 0.7552 0.7671 0.9071 0.9431 1.0293 1.0513 1.1466 1.1858 1.3471 1.4180 1.4978 1.5612 1.6025 1.6176 1.7167 1.8045 2.0834 2.1325 2.3862 2.5023 2.5887 2.6513 2.8638 2.9156 3.0623 3.1698 3.2454 3.3225 3.4295 3.4446 3.6120 3.6466 3.8822 3.8992 6.5693 6.6105 8.1463 8.2031 8.6539 8.7393 9.1228 9.1623 9.5540 9.5913 9.8272 9.8308 k = 0.0600 0.4452 0.5360 ( 11390 PWs) bands (ev): -8.0992 -8.0984 -8.0262 -8.0252 -7.8882 -7.8876 -7.8760 -7.8751 -3.1347 -3.1340 -3.1001 -3.0948 -1.6042 -1.5912 -1.4525 -1.4504 -1.3908 -1.3886 -0.7303 -0.7254 0.3800 0.4115 0.4373 0.4529 0.4835 0.5226 0.5868 0.6347 0.7499 0.7648 0.9004 0.9397 1.0178 1.0433 1.1478 1.1896 1.3400 1.4222 1.4834 1.5528 1.5940 1.6091 1.7058 1.8004 2.0978 2.1522 2.3792 2.5265 2.5657 2.6496 2.8828 2.9278 3.0844 3.1918 3.2605 3.3412 3.4447 3.4654 3.6119 3.6553 3.8755 3.8959 6.5446 6.5927 8.1074 8.1686 8.6192 8.7074 9.1434 9.1924 9.5624 9.6055 9.8283 9.8312 k = 0.0700 0.4311 0.5533 ( 11386 PWs) bands (ev): -8.0965 -8.0956 -8.0243 -8.0232 -7.8902 -7.8896 -7.8784 -7.8774 -3.1342 -3.1334 -3.1004 -3.0944 -1.6038 -1.5891 -1.4523 -1.4500 -1.3903 -1.3878 -0.7348 -0.7292 0.3750 0.4115 0.4317 0.4478 0.4828 0.5225 0.5870 0.6387 0.7438 0.7621 0.8936 0.9356 1.0058 1.0352 1.1491 1.1927 1.3333 1.4253 1.4694 1.5429 1.5834 1.6025 1.6949 1.7943 2.1111 2.1688 2.3720 2.5285 2.5688 2.6568 2.9038 2.9411 3.1092 3.2140 3.2773 3.3593 3.4592 3.4880 3.6137 3.6662 3.8683 3.8924 6.5175 6.5722 8.0670 8.1310 8.5795 8.6682 9.1653 9.2256 9.5731 9.6223 9.8305 9.8341 k = 0.0800 0.4170 0.5706 ( 11392 PWs) bands (ev): -8.0933 -8.0923 -8.0223 -8.0210 -7.8925 -7.8919 -7.8811 -7.8799 -3.1337 -3.1327 -3.1006 -3.0940 -1.6031 -1.5870 -1.4521 -1.4496 -1.3898 -1.3869 -0.7398 -0.7335 0.3694 0.4106 0.4252 0.4430 0.4822 0.5218 0.5879 0.6422 0.7369 0.7593 0.8869 0.9308 0.9938 1.0273 1.1502 1.1954 1.3269 1.4268 1.4564 1.5322 1.5711 1.5976 1.6839 1.7868 2.1197 2.1790 2.3688 2.5140 2.5939 2.6723 2.9264 2.9564 3.1354 3.2370 3.2944 3.3769 3.4719 3.5110 3.6180 3.6797 3.8611 3.8888 6.4888 6.5493 8.0259 8.0917 8.5349 8.6229 9.1878 9.2605 9.5853 9.6417 9.8335 9.8409 k = 0.0900 0.4029 0.5879 ( 11384 PWs) bands (ev): -8.0897 -8.0886 -8.0200 -8.0185 -7.8952 -7.8945 -7.8840 -7.8827 -3.1331 -3.1319 -3.1008 -3.0936 -1.6022 -1.5848 -1.4518 -1.4491 -1.3892 -1.3860 -0.7450 -0.7381 0.3635 0.4084 0.4179 0.4388 0.4814 0.5207 0.5894 0.6452 0.7294 0.7564 0.8801 0.9259 0.9824 1.0202 1.1508 1.1976 1.3206 1.4253 1.4460 1.5212 1.5585 1.5938 1.6731 1.7786 2.1198 2.1805 2.3741 2.5056 2.6205 2.6943 2.9503 2.9740 3.1623 3.2607 3.3105 3.3939 3.4825 3.5326 3.6254 3.6953 3.8545 3.8855 6.4589 6.5246 7.9849 8.0519 8.4862 8.5728 9.2104 9.2959 9.5983 9.6634 9.8378 9.8521 k = 0.1000 0.3888 0.6051 ( 11386 PWs) bands (ev): -8.0858 -8.0846 -8.0174 -8.0159 -7.8983 -7.8975 -7.8872 -7.8857 -3.1325 -3.1311 -3.1010 -3.0933 -1.6011 -1.5828 -1.4515 -1.4485 -1.3886 -1.3851 -0.7506 -0.7431 0.3571 0.4041 0.4103 0.4355 0.4805 0.5192 0.5912 0.6476 0.7217 0.7536 0.8733 0.9207 0.9720 1.0142 1.1504 1.1994 1.3141 1.4189 1.4402 1.5102 1.5464 1.5906 1.6628 1.7700 2.1089 2.1735 2.3889 2.5075 2.6465 2.7203 2.9750 2.9938 3.1898 3.2842 3.3254 3.4103 3.4911 3.5513 3.6364 3.7126 3.8489 3.8830 6.4285 6.4984 7.9447 8.0124 8.4341 8.5189 9.2327 9.3305 9.6113 9.6870 9.8443 9.8678 k = 0.1100 0.3747 0.6224 ( 11370 PWs) bands (ev): -8.0815 -8.0802 -8.0147 -8.0130 -7.9017 -7.9008 -7.8905 -7.8888 -3.1318 -3.1303 -3.1011 -3.0931 -1.5998 -1.5807 -1.4511 -1.4479 -1.3880 -1.3841 -0.7563 -0.7483 0.3504 0.3975 0.4031 0.4331 0.4794 0.5174 0.5933 0.6493 0.7141 0.7511 0.8667 0.9152 0.9631 1.0096 1.1490 1.2005 1.3073 1.4097 1.4372 1.4995 1.5354 1.5878 1.6535 1.7615 2.0881 2.1595 2.4116 2.5199 2.6717 2.7484 2.9999 3.0156 3.2175 3.3062 3.3397 3.4263 3.4981 3.5660 3.6506 3.7308 3.8450 3.8817 6.3981 6.4714 7.9059 7.9742 8.3795 8.4625 9.2543 9.3633 9.6240 9.7117 9.8534 9.8884 k = 0.1200 0.3606 0.6397 ( 11374 PWs) bands (ev): -8.0769 -8.0755 -8.0117 -8.0099 -7.9056 -7.9045 -7.8939 -7.8921 -3.1311 -3.1294 -3.1011 -3.0928 -1.5983 -1.5788 -1.4507 -1.4473 -1.3875 -1.3830 -0.7620 -0.7536 0.3434 0.3892 0.3957 0.4314 0.4782 0.5151 0.5953 0.6501 0.7070 0.7490 0.8605 0.9090 0.9561 1.0066 1.1464 1.2006 1.3000 1.4007 1.4343 1.4894 1.5258 1.5849 1.6455 1.7532 2.0607 2.1398 2.4398 2.5407 2.6963 2.7769 3.0236 3.0392 3.2448 3.3251 3.3543 3.4424 3.5040 3.5765 3.6669 3.7487 3.8437 3.8820 6.3681 6.4439 7.8690 7.9377 8.3233 8.4044 9.2747 9.3935 9.6364 9.7368 9.8657 9.9138 k = 0.1300 0.3465 0.6570 ( 11382 PWs) bands (ev): -8.0720 -8.0705 -8.0086 -8.0067 -7.9098 -7.9085 -7.8975 -7.8955 -3.1305 -3.1285 -3.1011 -3.0927 -1.5966 -1.5770 -1.4503 -1.4466 -1.3869 -1.3820 -0.7678 -0.7590 0.3363 0.3804 0.3878 0.4302 0.4769 0.5123 0.5972 0.6502 0.7004 0.7475 0.8552 0.9022 0.9512 1.0052 1.1424 1.1995 1.2923 1.3933 1.4304 1.4802 1.5180 1.5816 1.6393 1.7455 2.0296 2.1162 2.4717 2.5673 2.7202 2.8051 3.0449 3.0640 3.2703 3.3417 3.3691 3.4591 3.5092 3.5833 3.6840 3.7655 3.8454 3.8840 6.3392 6.4163 7.8346 7.9036 8.2664 8.3455 9.2935 9.4201 9.6488 9.7615 9.8817 9.9435 k = 0.1400 0.3324 0.6743 ( 11380 PWs) bands (ev): -8.0669 -8.0653 -8.0054 -8.0034 -7.9143 -7.9128 -7.9011 -7.8990 -3.1298 -3.1276 -3.1010 -3.0926 -1.5948 -1.5754 -1.4498 -1.4459 -1.3865 -1.3809 -0.7734 -0.7644 0.3291 0.3715 0.3793 0.4291 0.4758 0.5088 0.5990 0.6497 0.6945 0.7466 0.8510 0.8950 0.9483 1.0053 1.1373 1.1967 1.2845 1.3877 1.4251 1.4721 1.5119 1.5775 1.6352 1.7384 1.9970 2.0906 2.5059 2.5972 2.7434 2.8328 3.0628 3.0892 3.2918 3.3592 3.3823 3.4764 3.5137 3.5884 3.7007 3.7804 3.8502 3.8878 6.3116 6.3890 7.8029 7.8723 8.2095 8.2866 9.3105 9.4423 9.6622 9.7851 9.9017 9.9770 k = 0.1500 0.3183 0.6916 ( 11388 PWs) bands (ev): -8.0614 -8.0598 -8.0020 -8.0000 -7.9191 -7.9174 -7.9049 -7.9025 -3.1292 -3.1268 -3.1009 -3.0926 -1.5929 -1.5740 -1.4493 -1.4452 -1.3860 -1.3799 -0.7789 -0.7697 0.3220 0.3626 0.3706 0.4281 0.4747 0.5047 0.6007 0.6486 0.6892 0.7463 0.8482 0.8878 0.9470 1.0066 1.1311 1.1920 1.2773 1.3842 1.4186 1.4653 1.5072 1.5725 1.6333 1.7321 1.9642 2.0644 2.5412 2.6289 2.7655 2.8601 3.0766 3.1134 3.3070 3.3781 3.3957 3.4917 3.5182 3.5950 3.7163 3.7927 3.8579 3.8929 6.2859 6.3623 7.7745 7.8442 8.1534 8.2285 9.3255 9.4597 9.6773 9.8071 9.9254 10.0135 k = 0.1600 0.3042 0.7089 ( 11396 PWs) bands (ev): -8.0558 -8.0541 -7.9987 -7.9966 -7.9240 -7.9222 -7.9086 -7.9061 -3.1286 -3.1260 -3.1006 -3.0927 -1.5909 -1.5729 -1.4488 -1.4445 -1.3856 -1.3789 -0.7841 -0.7748 0.3151 0.3540 0.3619 0.4271 0.4736 0.5002 0.6023 0.6472 0.6846 0.7463 0.8468 0.8813 0.9469 1.0087 1.1241 1.1850 1.2711 1.3824 1.4111 1.4597 1.5039 1.5665 1.6333 1.7266 1.9321 2.0386 2.5765 2.6611 2.7865 2.8870 3.0858 3.1356 3.3163 3.3895 3.4183 3.4984 3.5260 3.6070 3.7301 3.8024 3.8675 3.8987 6.2623 6.3364 7.7496 7.8196 8.0987 8.1719 9.3382 9.4722 9.6945 9.8273 9.9522 10.0523 k = 0.1700 0.2901 0.7262 ( 11380 PWs) bands (ev): -8.0500 -8.0482 -7.9953 -7.9933 -7.9291 -7.9270 -7.9124 -7.9098 -3.1280 -3.1252 -3.1003 -3.0928 -1.5888 -1.5719 -1.4483 -1.4439 -1.3852 -1.3780 -0.7890 -0.7796 0.3086 0.3456 0.3535 0.4260 0.4727 0.4955 0.6039 0.6455 0.6806 0.7466 0.8466 0.8761 0.9475 1.0114 1.1168 1.1763 1.2663 1.3819 1.4032 1.4551 1.5015 1.5600 1.6352 1.7220 1.9015 2.0141 2.6110 2.6932 2.8061 2.9137 3.0907 3.1552 3.3204 3.3949 3.4473 3.4942 3.5392 3.6259 3.7418 3.8099 3.8776 3.9044 6.2412 6.3118 7.7286 7.7989 8.0461 8.1173 9.3486 9.4802 9.7139 9.8454 9.9816 10.0926 k = 0.1800 0.2760 0.7435 ( 11386 PWs) bands (ev): -8.0440 -8.0422 -7.9921 -7.9901 -7.9341 -7.9319 -7.9162 -7.9136 -3.1275 -3.1245 -3.1000 -3.0930 -1.5868 -1.5712 -1.4477 -1.4432 -1.3849 -1.3772 -0.7934 -0.7840 0.3027 0.3374 0.3458 0.4248 0.4718 0.4908 0.6056 0.6435 0.6772 0.7469 0.8472 0.8730 0.9483 1.0142 1.1094 1.1664 1.2627 1.3821 1.3957 1.4514 1.4999 1.5529 1.6385 1.7183 1.8726 1.9914 2.6437 2.7247 2.8242 2.9397 3.0920 3.1718 3.3189 3.3992 3.4716 3.4898 3.5551 3.6497 3.7514 3.8153 3.8871 3.9094 6.2229 6.2887 7.7116 7.7823 7.9961 8.0653 9.3569 9.4846 9.7351 9.8612 10.0130 10.1338 k = 0.1900 0.2619 0.7607 ( 11384 PWs) bands (ev): -8.0380 -8.0362 -7.9891 -7.9872 -7.9390 -7.9366 -7.9200 -7.9173 -3.1271 -3.1238 -3.0995 -3.0933 -1.5847 -1.5708 -1.4472 -1.4427 -1.3847 -1.3764 -0.7974 -0.7880 0.2974 0.3296 0.3389 0.4235 0.4710 0.4863 0.6073 0.6412 0.6745 0.7470 0.8476 0.8726 0.9488 1.0170 1.1023 1.1563 1.2600 1.3809 1.3905 1.4483 1.4988 1.5458 1.6429 1.7153 1.8459 1.9709 2.6737 2.7552 2.8409 2.9637 3.0914 3.1856 3.3119 3.4019 3.4669 3.5124 3.5730 3.6750 3.7593 3.8191 3.8950 3.9131 6.2076 6.2672 7.6989 7.7700 7.9494 8.0165 9.3632 9.4862 9.7573 9.8742 10.0458 10.1747 k = 0.2000 0.2478 0.7780 ( 11388 PWs) bands (ev): -8.0320 -8.0302 -7.9867 -7.9849 -7.9433 -7.9408 -7.9238 -7.9210 -3.1267 -3.1233 -3.0990 -3.0936 -1.5826 -1.5707 -1.4467 -1.4422 -1.3844 -1.3758 -0.8009 -0.7916 0.2929 0.3224 0.3330 0.4222 0.4704 0.4823 0.6092 0.6384 0.6725 0.7469 0.8474 0.8753 0.9484 1.0197 1.0956 1.1468 1.2581 1.3760 1.3901 1.4457 1.4981 1.5389 1.6484 1.7130 1.8218 1.9530 2.7005 2.7839 2.8565 2.9836 3.0916 3.1975 3.3002 3.3980 3.4613 3.5390 3.5921 3.6992 3.7665 3.8215 3.9007 3.9151 6.1954 6.2477 7.6905 7.7622 7.9065 7.9713 9.3678 9.4859 9.7800 9.8840 10.0796 10.2121 k = 0.2100 0.2337 0.7953 ( 11384 PWs) bands (ev): -8.0261 -8.0244 -7.9851 -7.9834 -7.9469 -7.9443 -7.9273 -7.9247 -3.1263 -3.1228 -3.0985 -3.0940 -1.5807 -1.5708 -1.4463 -1.4418 -1.3842 -1.3753 -0.8037 -0.7945 0.2893 0.3159 0.3281 0.4210 0.4699 0.4788 0.6112 0.6355 0.6712 0.7466 0.8470 0.8802 0.9469 1.0224 1.0891 1.1388 1.2568 1.3699 1.3919 1.4437 1.4976 1.5325 1.6547 1.7112 1.8005 1.9380 2.7234 2.8095 2.8716 2.9960 3.0956 3.2086 3.2855 3.3839 3.4643 3.5625 3.6110 3.7192 3.7745 3.8230 3.9041 3.9153 6.1864 6.2303 7.6863 7.7590 7.8680 7.9303 9.3710 9.4846 9.8023 9.8901 10.1136 10.2377 k = 0.2200 0.2196 0.8126 ( 11386 PWs) bands (ev): -8.0206 -8.0189 -7.9846 -7.9829 -7.9493 -7.9468 -7.9306 -7.9281 -3.1261 -3.1225 -3.0980 -3.0945 -1.5788 -1.5712 -1.4459 -1.4415 -1.3841 -1.3748 -0.8060 -0.7969 0.2866 0.3105 0.3242 0.4198 0.4697 0.4760 0.6134 0.6323 0.6704 0.7463 0.8465 0.8865 0.9441 1.0252 1.0830 1.1328 1.2558 1.3645 1.3940 1.4421 1.4973 1.5270 1.6614 1.7096 1.7824 1.9261 2.7419 2.8303 2.8870 2.9992 3.1051 3.2203 3.2699 3.3634 3.4721 3.5819 3.6280 3.7326 3.7848 3.8240 3.9053 3.9138 6.1806 6.2154 7.6861 7.7600 7.8349 7.8939 9.3731 9.4829 9.8235 9.8922 10.1462 10.2543 k = 0.2300 0.2055 0.8299 ( 11386 PWs) bands (ev): -8.0157 -8.0141 -7.9852 -7.9836 -7.9503 -7.9481 -7.9332 -7.9311 -3.1259 -3.1222 -3.0974 -3.0950 -1.5771 -1.5719 -1.4456 -1.4413 -1.3840 -1.3745 -0.8077 -0.7986 0.2848 0.3064 0.3215 0.4190 0.4697 0.4737 0.6157 0.6292 0.6699 0.7459 0.8462 0.8929 0.9404 1.0281 1.0775 1.1289 1.2552 1.3602 1.3959 1.4409 1.4971 1.5228 1.6681 1.7079 1.7684 1.9174 2.7556 2.8447 2.9028 2.9951 3.1172 3.2330 3.2557 3.3411 3.4801 3.5967 3.6410 3.7398 3.7960 3.8252 3.9050 3.9112 6.1778 6.2033 7.6890 7.7644 7.8089 7.8629 9.3744 9.4812 9.8429 9.8903 10.1749 10.2666 k = 0.2400 0.1914 0.8472 ( 11376 PWs) bands (ev): -8.0121 -8.0106 -7.9864 -7.9847 -7.9502 -7.9488 -7.9349 -7.9335 -3.1258 -3.1220 -3.0968 -3.0955 -1.5757 -1.5727 -1.4454 -1.4412 -1.3839 -1.3744 -0.8086 -0.7997 0.2837 0.3037 0.3198 0.4184 0.4701 0.4721 0.6179 0.6266 0.6696 0.7456 0.8460 0.8982 0.9368 1.0304 1.0735 1.1268 1.2549 1.3576 1.3972 1.4402 1.4970 1.5201 1.6735 1.7062 1.7593 1.9122 2.7641 2.8527 2.9163 2.9883 3.1274 3.2413 3.2499 3.3212 3.4857 3.6061 3.6490 3.7431 3.8041 3.8269 3.9041 3.9085 6.1776 6.1945 7.6932 7.7686 7.7943 7.8392 9.3751 9.4801 9.8597 9.8842 10.1954 10.2744 k = 0.2500 0.1772 0.8645 ( 11376 PWs) bands (ev): -8.0107 -8.0093 -7.9870 -7.9853 -7.9498 -7.9492 -7.9353 -7.9346 -3.1257 -3.1220 -3.0964 -3.0958 -1.5749 -1.5733 -1.4453 -1.4411 -1.3839 -1.3743 -0.8090 -0.8000 0.2834 0.3029 0.3193 0.4182 0.4706 0.4711 0.6190 0.6252 0.6696 0.7455 0.8460 0.9004 0.9352 1.0313 1.0719 1.1261 1.2548 1.3567 1.3976 1.4400 1.4970 1.5192 1.6758 1.7054 1.7562 1.9104 2.7669 2.8553 2.9221 2.9848 3.1314 3.2388 3.2551 3.3119 3.4878 3.6093 3.6516 3.7441 3.8069 3.8279 3.9037 3.9074 6.1782 6.1909 7.6953 7.7685 7.7926 7.8289 9.3753 9.4797 9.8713 9.8762 10.2031 10.2771 k = 0.2500 0.1772 0.8645 ( 11376 PWs) bands (ev): -8.0107 -8.0093 -7.9870 -7.9853 -7.9498 -7.9492 -7.9353 -7.9346 -3.1257 -3.1220 -3.0964 -3.0958 -1.5749 -1.5733 -1.4453 -1.4411 -1.3839 -1.3743 -0.8090 -0.8000 0.2834 0.3029 0.3193 0.4182 0.4706 0.4711 0.6190 0.6252 0.6696 0.7455 0.8460 0.9004 0.9352 1.0313 1.0719 1.1261 1.2548 1.3567 1.3976 1.4400 1.4970 1.5192 1.6758 1.7054 1.7562 1.9104 2.7669 2.8553 2.9221 2.9848 3.1314 3.2388 3.2551 3.3119 3.4878 3.6093 3.6516 3.7441 3.8069 3.8279 3.9037 3.9074 6.1782 6.1909 7.6953 7.7685 7.7926 7.8289 9.3753 9.4797 9.8713 9.8762 10.2031 10.2771 k = 0.2656 0.1883 0.8509 ( 11382 PWs) bands (ev): -8.0111 -8.0097 -7.9868 -7.9852 -7.9500 -7.9490 -7.9352 -7.9342 -3.1257 -3.1220 -3.0966 -3.0957 -1.5751 -1.5731 -1.4454 -1.4412 -1.3838 -1.3743 -0.8090 -0.8000 0.2836 0.3031 0.3196 0.4177 0.4705 0.4716 0.6188 0.6258 0.6697 0.7453 0.8458 0.9000 0.9353 1.0316 1.0713 1.1275 1.2543 1.3560 1.3983 1.4401 1.4969 1.5191 1.6756 1.7038 1.7609 1.9122 2.7633 2.8460 2.9237 2.9788 3.1362 3.2294 3.2651 3.3164 3.4881 3.6095 3.6511 3.7438 3.8048 3.8300 3.9019 3.9105 6.1762 6.1901 7.6952 7.7673 7.7954 7.8326 9.3773 9.4819 9.8647 9.8786 10.2012 10.2711 k = 0.2812 0.1994 0.8373 ( 11384 PWs) bands (ev): -8.0120 -8.0106 -7.9864 -7.9848 -7.9502 -7.9488 -7.9349 -7.9335 -3.1258 -3.1221 -3.0968 -3.0955 -1.5757 -1.5727 -1.4454 -1.4413 -1.3836 -1.3743 -0.8090 -0.8001 0.2841 0.3039 0.3206 0.4163 0.4706 0.4726 0.6185 0.6275 0.6701 0.7446 0.8453 0.8988 0.9359 1.0327 1.0696 1.1315 1.2531 1.3541 1.4004 1.4406 1.4968 1.5189 1.6753 1.7011 1.7730 1.9171 2.7525 2.8242 2.9233 2.9630 3.1456 3.2198 3.2765 3.3311 3.4894 3.6104 3.6493 3.7427 3.7994 3.8347 3.9001 3.9169 6.1710 6.1869 7.6952 7.7632 7.8057 7.8418 9.3833 9.4886 9.8532 9.8785 10.1963 10.2550 k = 0.2969 0.2105 0.8237 ( 11391 PWs) bands (ev): -8.0133 -8.0119 -7.9859 -7.9843 -7.9504 -7.9486 -7.9343 -7.9327 -3.1258 -3.1222 -3.0971 -3.0952 -1.5764 -1.5723 -1.4456 -1.4415 -1.3833 -1.3743 -0.8089 -0.8003 0.2848 0.3050 0.3224 0.4142 0.4710 0.4740 0.6180 0.6298 0.6703 0.7435 0.8448 0.8966 0.9375 1.0345 1.0676 1.1377 1.2511 1.3514 1.4034 1.4414 1.4964 1.5185 1.6751 1.6992 1.7896 1.9251 2.7353 2.7971 2.9154 2.9425 3.1525 3.2155 3.2883 3.3514 3.4921 3.6123 3.6461 3.7406 3.7922 3.8395 3.9003 3.9254 6.1634 6.1808 7.6959 7.7584 7.8224 7.8549 9.3932 9.5000 9.8390 9.8750 10.1880 10.2330 k = 0.3125 0.2216 0.8102 ( 11387 PWs) bands (ev): -8.0147 -8.0133 -7.9854 -7.9838 -7.9504 -7.9484 -7.9336 -7.9319 -3.1259 -3.1223 -3.0974 -3.0950 -1.5771 -1.5722 -1.4459 -1.4417 -1.3829 -1.3743 -0.8089 -0.8004 0.2857 0.3064 0.3250 0.4116 0.4713 0.4758 0.6176 0.6327 0.6702 0.7422 0.8444 0.8936 0.9403 1.0369 1.0659 1.1456 1.2485 1.3482 1.4072 1.4426 1.4959 1.5183 1.6753 1.6991 1.8093 1.9356 2.7126 2.7681 2.8975 2.9212 3.1560 3.2140 3.3039 3.3713 3.4966 3.6152 3.6416 3.7377 3.7838 3.8426 3.9035 3.9359 6.1541 6.1719 7.6974 7.7544 7.8438 7.8716 9.4063 9.5159 9.8225 9.8695 10.1753 10.2086 k = 0.3281 0.2326 0.7966 ( 11395 PWs) bands (ev): -8.0160 -8.0146 -7.9850 -7.9834 -7.9504 -7.9482 -7.9330 -7.9312 -3.1260 -3.1225 -3.0978 -3.0949 -1.5779 -1.5721 -1.4465 -1.4418 -1.3825 -1.3744 -0.8088 -0.8005 0.2866 0.3080 0.3283 0.4089 0.4715 0.4782 0.6173 0.6359 0.6694 0.7408 0.8444 0.8903 0.9442 1.0397 1.0652 1.1545 1.2455 1.3446 1.4112 1.4440 1.4952 1.5183 1.6760 1.7003 1.8314 1.9485 2.6858 2.7386 2.8722 2.8987 3.1591 3.2130 3.3217 3.3875 3.5032 3.6184 3.6358 3.7343 3.7745 3.8430 3.9100 3.9477 6.1439 6.1609 7.6998 7.7514 7.8690 7.8919 9.4219 9.5361 9.8041 9.8633 10.1579 10.1842 k = 0.3438 0.2437 0.7830 ( 11393 PWs) bands (ev): -8.0171 -8.0158 -7.9847 -7.9831 -7.9502 -7.9478 -7.9326 -7.9308 -3.1262 -3.1226 -3.0981 -3.0948 -1.5788 -1.5722 -1.4474 -1.4416 -1.3821 -1.3746 -0.8085 -0.8004 0.2874 0.3098 0.3320 0.4066 0.4716 0.4809 0.6169 0.6394 0.6678 0.7396 0.8450 0.8870 0.9491 1.0424 1.0659 1.1644 1.2423 1.3410 1.4152 1.4458 1.4945 1.5187 1.6775 1.7026 1.8555 1.9634 2.6567 2.7094 2.8434 2.8736 3.1632 3.2118 3.3385 3.3992 3.5116 3.6195 3.6307 3.7304 3.7652 3.8411 3.9188 3.9603 6.1337 6.1486 7.7031 7.7496 7.8967 7.9160 9.4389 9.5598 9.7844 9.8580 10.1370 10.1612 k = 0.3594 0.2548 0.7694 ( 11396 PWs) bands (ev): -8.0180 -8.0168 -7.9846 -7.9830 -7.9499 -7.9474 -7.9323 -7.9306 -3.1265 -3.1227 -3.0984 -3.0947 -1.5797 -1.5725 -1.4486 -1.4414 -1.3817 -1.3748 -0.8082 -0.8003 0.2880 0.3119 0.3356 0.4053 0.4715 0.4839 0.6164 0.6428 0.6653 0.7384 0.8465 0.8844 0.9547 1.0446 1.0681 1.1746 1.2392 1.3374 1.4189 1.4479 1.4938 1.5196 1.6800 1.7054 1.8811 1.9799 2.6270 2.6807 2.8134 2.8461 3.1681 3.2106 3.3524 3.4066 3.5207 3.6132 3.6307 3.7250 3.7573 3.8378 3.9284 3.9727 6.1244 6.1362 7.7072 7.7490 7.9252 7.9444 9.4559 9.5862 9.7642 9.8549 10.1144 10.1400 k = 0.3750 0.2659 0.7558 ( 11399 PWs) bands (ev): -8.0186 -8.0175 -7.9846 -7.9830 -7.9495 -7.9470 -7.9323 -7.9306 -3.1269 -3.1228 -3.0988 -3.0948 -1.5807 -1.5730 -1.4499 -1.4410 -1.3814 -1.3752 -0.8078 -0.7999 0.2885 0.3141 0.3388 0.4054 0.4713 0.4872 0.6157 0.6461 0.6623 0.7375 0.8486 0.8828 0.9611 1.0463 1.0717 1.1848 1.2365 1.3339 1.4220 1.4506 1.4932 1.5210 1.6832 1.7085 1.9078 1.9976 2.5977 2.6528 2.7833 2.8177 3.1728 3.2093 3.3627 3.4108 3.5293 3.6021 3.6327 3.7164 3.7531 3.8339 3.9374 3.9839 6.1166 6.1250 7.7123 7.7496 7.9533 7.9769 9.4709 9.6136 9.7454 9.8549 10.0913 10.1208 k = 0.3906 0.2770 0.7423 ( 11397 PWs) bands (ev): -8.0189 -8.0178 -7.9849 -7.9832 -7.9491 -7.9464 -7.9324 -7.9309 -3.1273 -3.1228 -3.0992 -3.0949 -1.5817 -1.5736 -1.4513 -1.4407 -1.3812 -1.3757 -0.8071 -0.7993 0.2889 0.3163 0.3414 0.4071 0.4711 0.4907 0.6148 0.6484 0.6595 0.7365 0.8514 0.8828 0.9679 1.0478 1.0762 1.1943 1.2352 1.3306 1.4245 1.4539 1.4928 1.5232 1.6871 1.7116 1.9352 2.0161 2.5698 2.6260 2.7540 2.7896 3.1760 3.2083 3.3696 3.4124 3.5364 3.5890 3.6337 3.7042 3.7532 3.8301 3.9445 3.9929 6.1101 6.1170 7.7185 7.7516 7.9807 8.0119 9.4818 9.6385 9.7315 9.8590 10.0684 10.1038 k = 0.4062 0.2880 0.7287 ( 11401 PWs) bands (ev): -8.0188 -8.0179 -7.9855 -7.9837 -7.9486 -7.9458 -7.9327 -7.9312 -3.1278 -3.1228 -3.0997 -3.0950 -1.5829 -1.5744 -1.4528 -1.4402 -1.3811 -1.3764 -0.8063 -0.7985 0.2894 0.3182 0.3437 0.4104 0.4707 0.4943 0.6137 0.6478 0.6593 0.7352 0.8545 0.8845 0.9753 1.0493 1.0809 1.2017 1.2363 1.3278 1.4263 1.4576 1.4927 1.5260 1.6915 1.7145 1.9625 2.0348 2.5439 2.6008 2.7264 2.7630 3.1765 3.2079 3.3737 3.4119 3.5413 3.5744 3.6331 3.6895 3.7566 3.8268 3.9488 3.9988 6.1046 6.1140 7.7261 7.7553 8.0072 8.0479 9.4860 9.6526 9.7305 9.8677 10.0456 10.0892 k = 0.4219 0.2991 0.7151 ( 11398 PWs) bands (ev): -8.0184 -8.0176 -7.9866 -7.9846 -7.9481 -7.9452 -7.9329 -7.9314 -3.1284 -3.1228 -3.1001 -3.0952 -1.5841 -1.5753 -1.4543 -1.4398 -1.3813 -1.3771 -0.8052 -0.7974 0.2901 0.3196 0.3460 0.4151 0.4705 0.4979 0.6122 0.6442 0.6618 0.7337 0.8581 0.8881 0.9829 1.0510 1.0854 1.2059 1.2411 1.3256 1.4277 1.4615 1.4929 1.5297 1.6962 1.7173 1.9891 2.0532 2.5202 2.5776 2.7012 2.7391 3.1732 3.2079 3.3754 3.4094 3.5437 3.5590 3.6304 3.6735 3.7622 3.8242 3.9496 4.0012 6.1013 6.1157 7.7353 7.7608 8.0323 8.0834 9.4817 9.6507 9.7467 9.8811 10.0219 10.0771 k = 0.4375 0.3102 0.7015 ( 11392 PWs) bands (ev): -8.0177 -8.0170 -7.9881 -7.9859 -7.9476 -7.9446 -7.9331 -7.9316 -3.1290 -3.1227 -3.1006 -3.0955 -1.5853 -1.5763 -1.4558 -1.4394 -1.3818 -1.3778 -0.8039 -0.7961 0.2909 0.3202 0.3487 0.4205 0.4703 0.5016 0.6105 0.6397 0.6651 0.7317 0.8620 0.8932 0.9908 1.0532 1.0892 1.2077 1.2487 1.3245 1.4289 1.4655 1.4936 1.5342 1.7008 1.7199 2.0140 2.0706 2.4990 2.5573 2.6792 2.7189 3.1663 3.2077 3.3751 3.4051 3.5410 3.5459 3.6255 3.6570 3.7691 3.8226 3.9466 3.9997 6.1015 6.1215 7.7462 7.7683 8.0555 8.1174 9.4681 9.6395 9.7704 9.8977 9.9957 10.0676 k = 0.4531 0.3213 0.6879 ( 11387 PWs) bands (ev): -8.0168 -8.0161 -7.9903 -7.9878 -7.9471 -7.9439 -7.9330 -7.9314 -3.1296 -3.1227 -3.1010 -3.0958 -1.5866 -1.5773 -1.4573 -1.4390 -1.3826 -1.3785 -0.8023 -0.7947 0.2922 0.3204 0.3520 0.4263 0.4704 0.5052 0.6085 0.6352 0.6686 0.7292 0.8663 0.8995 0.9985 1.0559 1.0920 1.2086 1.2572 1.3249 1.4301 1.4691 1.4951 1.5394 1.7052 1.7222 2.0359 2.0865 2.4801 2.5405 2.6610 2.7032 3.1559 3.2061 3.3719 3.3999 3.5257 3.5432 3.6179 3.6408 3.7765 3.8217 3.9401 3.9950 6.1055 6.1310 7.7590 7.7779 8.0764 8.1486 9.4465 9.6231 9.7926 9.9108 9.9691 10.0606 k = 0.4688 0.3323 0.6744 ( 11388 PWs) bands (ev): -8.0157 -8.0152 -7.9929 -7.9902 -7.9466 -7.9431 -7.9325 -7.9309 -3.1302 -3.1227 -3.1015 -3.0961 -1.5880 -1.5785 -1.4587 -1.4387 -1.3836 -1.3793 -0.8006 -0.7931 0.2938 0.3203 0.3559 0.4319 0.4709 0.5089 0.6064 0.6310 0.6717 0.7265 0.8710 0.9067 1.0059 1.0595 1.0938 1.2097 1.2648 1.3277 1.4316 1.4722 1.4975 1.5452 1.7090 1.7245 2.0535 2.1005 2.4641 2.5280 2.6474 2.6923 3.1426 3.2023 3.3645 3.3949 3.5096 3.5403 3.6074 3.6258 3.7830 3.8212 3.9309 3.9879 6.1133 6.1435 7.7736 7.7898 8.0945 8.1762 9.4187 9.6016 9.8072 9.8923 9.9664 10.0550 k = 0.4844 0.3434 0.6608 ( 11386 PWs) bands (ev): -8.0150 -8.0145 -7.9958 -7.9928 -7.9458 -7.9423 -7.9317 -7.9300 -3.1309 -3.1227 -3.1020 -3.0965 -1.5894 -1.5797 -1.4601 -1.4383 -1.3849 -1.3801 -0.7986 -0.7914 0.2959 0.3203 0.3602 0.4369 0.4718 0.5125 0.6041 0.6272 0.6742 0.7237 0.8760 0.9142 1.0124 1.0641 1.0946 1.2117 1.2706 1.3332 1.4334 1.4748 1.5010 1.5514 1.7120 1.7270 2.0657 2.1120 2.4514 2.5197 2.6389 2.6863 3.1268 3.1959 3.3525 3.3900 3.4941 3.5364 3.5942 3.6125 3.7866 3.8199 3.9207 3.9803 6.1243 6.1586 7.7897 7.8038 8.1097 8.1994 9.3868 9.5742 9.8079 9.8447 9.9839 10.0523 k = 0.5000 0.3545 0.6472 ( 11370 PWs) bands (ev): -8.0153 -8.0149 -7.9981 -7.9950 -7.9449 -7.9412 -7.9306 -7.9288 -3.1315 -3.1227 -3.1025 -3.0968 -1.5908 -1.5809 -1.4613 -1.4381 -1.3863 -1.3809 -0.7965 -0.7897 0.2984 0.3207 0.3648 0.4410 0.4733 0.5162 0.6017 0.6241 0.6759 0.7214 0.8809 0.9219 1.0177 1.0697 1.0946 1.2145 1.2745 1.3415 1.4356 1.4770 1.5055 1.5580 1.7138 1.7300 2.0721 2.1205 2.4428 2.5156 2.6360 2.6849 3.1087 3.1866 3.3369 3.3830 3.4803 3.5315 3.5801 3.6005 3.7845 3.8163 3.9124 3.9747 6.1382 6.1755 7.8065 7.8204 8.1223 8.2176 9.3527 9.5408 9.7858 9.7934 10.0010 10.0586 k = 0.5000 0.3545 0.6472 ( 11370 PWs) bands (ev): -8.0153 -8.0149 -7.9981 -7.9950 -7.9449 -7.9412 -7.9306 -7.9288 -3.1315 -3.1227 -3.1025 -3.0968 -1.5908 -1.5809 -1.4613 -1.4381 -1.3863 -1.3809 -0.7965 -0.7897 0.2984 0.3207 0.3648 0.4410 0.4733 0.5162 0.6017 0.6241 0.6759 0.7214 0.8809 0.9219 1.0177 1.0697 1.0946 1.2145 1.2745 1.3415 1.4356 1.4770 1.5055 1.5580 1.7138 1.7300 2.0721 2.1205 2.4428 2.5156 2.6360 2.6849 3.1087 3.1866 3.3369 3.3830 3.4803 3.5315 3.5801 3.6005 3.7845 3.8163 3.9124 3.9747 6.1382 6.1755 7.8065 7.8204 8.1223 8.2176 9.3527 9.5408 9.7858 9.7934 10.0010 10.0586 k = 0.5000 0.3545 0.6232 ( 11384 PWs) bands (ev): -8.0178 -8.0173 -8.0013 -7.9981 -7.9427 -7.9388 -7.9280 -7.9263 -3.1325 -3.1229 -3.1033 -3.0975 -1.5932 -1.5831 -1.4633 -1.4376 -1.3890 -1.3825 -0.7927 -0.7870 0.3037 0.3223 0.3733 0.4461 0.4773 0.5227 0.5976 0.6197 0.6778 0.7178 0.8898 0.9355 1.0255 1.0798 1.0948 1.2198 1.2804 1.3588 1.4406 1.4804 1.5151 1.5703 1.7162 1.7364 2.0787 2.1326 2.4313 2.5120 2.6356 2.6858 3.0736 3.1659 3.3062 3.3662 3.4582 3.5205 3.5571 3.5805 3.7745 3.8064 3.9010 3.9678 6.1653 6.2068 7.8364 7.8521 8.1414 8.2433 9.2883 9.4723 9.6914 9.7201 10.0250 10.0916 k = 0.5000 0.3545 0.5993 ( 11390 PWs) bands (ev): -8.0209 -8.0201 -8.0049 -8.0016 -7.9400 -7.9360 -7.9250 -7.9232 -3.1336 -3.1230 -3.1041 -3.0982 -1.5956 -1.5854 -1.4654 -1.4373 -1.3920 -1.3842 -0.7892 -0.7849 0.3097 0.3247 0.3817 0.4490 0.4832 0.5296 0.5938 0.6162 0.6793 0.7148 0.8992 0.9488 1.0330 1.0878 1.0969 1.2248 1.2873 1.3766 1.4469 1.4836 1.5268 1.5840 1.7191 1.7441 2.0861 2.1454 2.4202 2.5085 2.6355 2.6854 3.0364 3.1422 3.2743 3.3459 3.4379 3.5066 3.5382 3.5613 3.7644 3.7967 3.8888 3.9601 6.1934 6.2390 7.8663 7.8839 8.1584 8.2648 9.2186 9.3964 9.5923 9.6296 10.0445 10.1068 k = 0.5000 0.3545 0.5753 ( 11376 PWs) bands (ev): -8.0245 -8.0235 -8.0089 -8.0057 -7.9367 -7.9325 -7.9216 -7.9198 -3.1346 -3.1232 -3.1049 -3.0990 -1.5978 -1.5877 -1.4674 -1.4369 -1.3952 -1.3860 -0.7862 -0.7836 0.3163 0.3280 0.3901 0.4501 0.4902 0.5366 0.5906 0.6134 0.6805 0.7127 0.9089 0.9610 1.0405 1.0932 1.1016 1.2298 1.2951 1.3941 1.4546 1.4865 1.5407 1.5990 1.7225 1.7533 2.0941 2.1587 2.4099 2.5052 2.6356 2.6835 2.9981 3.1155 3.2424 3.3217 3.4205 3.4902 3.5236 3.5431 3.7545 3.7873 3.8760 3.9518 6.2220 6.2713 7.8955 7.9152 8.1727 8.2815 9.1451 9.3155 9.4926 9.5324 10.0546 10.0972 k = 0.5000 0.3545 0.5513 ( 11378 PWs) bands (ev): -8.0285 -8.0273 -8.0134 -8.0102 -7.9329 -7.9286 -7.9178 -7.9160 -3.1355 -3.1234 -3.1057 -3.0999 -1.5999 -1.5900 -1.4695 -1.4367 -1.3986 -1.3879 -0.7838 -0.7831 0.3233 0.3320 0.3984 0.4503 0.4976 0.5436 0.5880 0.6113 0.6814 0.7115 0.9184 0.9709 1.0486 1.0967 1.1081 1.2351 1.3036 1.4102 1.4636 1.4892 1.5568 1.6154 1.7265 1.7640 2.1027 2.1723 2.4008 2.5024 2.6359 2.6796 2.9598 3.0859 3.2114 3.2941 3.4058 3.4731 3.5115 3.5259 3.7447 3.7781 3.8626 3.9428 6.2506 6.3031 7.9234 7.9455 8.1843 8.2930 9.0690 9.2315 9.3938 9.4334 10.0488 10.0694 k = 0.5000 0.3545 0.5274 ( 11386 PWs) bands (ev): -8.0328 -8.0314 -8.0182 -8.0150 -7.9287 -7.9242 -7.9137 -7.9119 -3.1363 -3.1235 -3.1064 -3.1008 -1.6018 -1.5923 -1.4715 -1.4365 -1.4022 -1.3898 -0.7836 -0.7821 0.3306 0.3367 0.4064 0.4499 0.5049 0.5502 0.5865 0.6096 0.6822 0.7112 0.9274 0.9780 1.0570 1.0991 1.1163 1.2411 1.3128 1.4246 1.4737 1.4917 1.5748 1.6335 1.7312 1.7760 2.1117 2.1857 2.3935 2.5000 2.6359 2.6739 2.9226 3.0539 3.1822 3.2647 3.3933 3.4570 3.5003 3.5096 3.7351 3.7694 3.8488 3.9334 6.2786 6.3340 7.9492 7.9741 8.1932 8.2994 8.9917 9.1460 9.2970 9.3351 10.0205 10.0255 k = 0.5000 0.3545 0.5034 ( 11376 PWs) bands (ev): -8.0374 -8.0358 -8.0234 -8.0202 -7.9240 -7.9195 -7.9093 -7.9076 -3.1371 -3.1237 -3.1072 -3.1017 -1.6035 -1.5944 -1.4735 -1.4364 -1.4058 -1.3919 -0.7849 -0.7811 0.3382 0.3418 0.4141 0.4493 0.5119 0.5560 0.5862 0.6083 0.6834 0.7115 0.9354 0.9822 1.0647 1.0999 1.1277 1.2483 1.3225 1.4371 1.4843 1.4941 1.5944 1.6534 1.7367 1.7893 2.1210 2.1984 2.3889 2.4981 2.6344 2.6671 2.8875 3.0201 3.1555 3.2347 3.3822 3.4425 3.4894 3.4945 3.7255 3.7612 3.8346 3.9236 6.3056 6.3633 7.9724 8.0003 8.1998 8.3010 8.9142 9.0603 9.2024 9.2387 9.9588 9.9800 k = 0.5000 0.3545 0.4794 ( 11388 PWs) bands (ev): -8.0422 -8.0405 -8.0287 -8.0257 -7.9190 -7.9144 -7.9048 -7.9031 -3.1377 -3.1239 -3.1079 -3.1027 -1.6051 -1.5963 -1.4754 -1.4365 -1.4095 -1.3940 -0.7872 -0.7811 0.3457 0.3475 0.4213 0.4486 0.5186 0.5609 0.5874 0.6073 0.6851 0.7123 0.9420 0.9840 1.0705 1.0988 1.1430 1.2566 1.3325 1.4481 1.4941 1.4967 1.6152 1.6750 1.7431 1.8033 2.1304 2.2098 2.3874 2.4969 2.6283 2.6619 2.8556 2.9854 3.1318 3.2054 3.3719 3.4298 3.4771 3.4814 3.7161 3.7536 3.8202 3.9136 6.3310 6.3905 7.9922 8.0238 8.2044 8.2985 8.8375 8.9754 9.1107 9.1450 9.8839 9.9190 k = 0.5000 0.3545 0.4554 ( 11380 PWs) bands (ev): -8.0472 -8.0453 -8.0343 -8.0313 -7.9137 -7.9091 -7.9001 -7.8984 -3.1382 -3.1241 -3.1087 -3.1037 -1.6065 -1.5980 -1.4774 -1.4366 -1.4133 -1.3963 -0.7903 -0.7819 0.3523 0.3544 0.4277 0.4480 0.5250 0.5646 0.5899 0.6072 0.6875 0.7134 0.9470 0.9843 1.0737 1.0959 1.1622 1.2664 1.3428 1.4579 1.4977 1.5047 1.6368 1.6982 1.7504 1.8176 2.1396 2.2195 2.3896 2.4964 2.6152 2.6610 2.8276 2.9509 3.1115 3.1779 3.3623 3.4186 3.4630 3.4709 3.7069 3.7467 3.8055 3.9035 6.3544 6.4151 8.0082 8.0440 8.2076 8.2925 8.7623 8.8922 9.0219 9.0545 9.7997 9.8452 k = 0.5000 0.3545 0.4315 ( 11390 PWs) bands (ev): -8.0523 -8.0503 -8.0399 -8.0370 -7.9082 -7.9036 -7.8954 -7.8936 -3.1386 -3.1242 -3.1094 -3.1047 -1.6078 -1.5993 -1.4793 -1.4370 -1.4171 -1.3986 -0.7943 -0.7836 0.3581 0.3620 0.4329 0.4479 0.5311 0.5678 0.5929 0.6082 0.6906 0.7146 0.9500 0.9837 1.0746 1.0913 1.1841 1.2776 1.3532 1.4667 1.4995 1.5131 1.6589 1.7226 1.7586 1.8317 2.1480 2.2276 2.3953 2.4964 2.5964 2.6631 2.8039 2.9175 3.0944 3.1531 3.3529 3.4090 3.4486 3.4614 3.6979 3.7405 3.7907 3.8934 6.3755 6.4368 8.0197 8.0606 8.2099 8.2839 8.6892 8.8115 8.9363 8.9678 9.7085 9.7618 k = 0.5000 0.3545 0.4075 ( 11382 PWs) bands (ev): -8.0574 -8.0553 -8.0456 -8.0428 -7.9026 -7.8980 -7.8905 -7.8888 -3.1388 -3.1243 -3.1101 -3.1057 -1.6089 -1.6002 -1.4811 -1.4375 -1.4208 -1.4009 -0.7991 -0.7862 0.3638 0.3695 0.4363 0.4488 0.5370 0.5708 0.5957 0.6109 0.6942 0.7159 0.9512 0.9825 1.0734 1.0852 1.2079 1.2902 1.3637 1.4748 1.5011 1.5206 1.6813 1.7478 1.7678 1.8451 2.1551 2.2347 2.4030 2.4971 2.5748 2.6661 2.7855 2.8865 3.0807 3.1318 3.3436 3.4007 3.4340 3.4529 3.6889 3.7352 3.7758 3.8833 6.3938 6.4552 8.0267 8.0733 8.2114 8.2737 8.6187 8.7338 8.8541 8.8852 9.6119 9.6714 k = 0.5000 0.3545 0.3835 ( 11376 PWs) bands (ev): -8.0626 -8.0604 -8.0512 -8.0486 -7.8970 -7.8924 -7.8857 -7.8840 -3.1388 -3.1244 -3.1108 -3.1067 -1.6100 -1.6007 -1.4829 -1.4382 -1.4244 -1.4034 -0.8045 -0.7896 0.3692 0.3768 0.4375 0.4507 0.5428 0.5742 0.5981 0.6152 0.6981 0.7171 0.9506 0.9809 1.0703 1.0778 1.2326 1.3039 1.3744 1.4820 1.5026 1.5269 1.7038 1.7729 1.7783 1.8574 2.1603 2.2417 2.4104 2.4984 2.5530 2.6674 2.7737 2.8591 3.0699 3.1147 3.3345 3.3936 3.4193 3.4453 3.6801 3.7307 3.7609 3.8735 6.4092 6.4701 8.0291 8.0817 8.2120 8.2627 8.5511 8.6596 8.7756 8.8068 9.5118 9.5761 k = 0.5000 0.3545 0.3596 ( 11384 PWs) bands (ev): -8.0676 -8.0654 -8.0568 -8.0543 -7.8913 -7.8868 -7.8809 -7.8792 -3.1387 -3.1244 -3.1115 -3.1077 -1.6109 -1.6009 -1.4847 -1.4391 -1.4279 -1.4058 -0.8105 -0.7938 0.3744 0.3835 0.4372 0.4528 0.5485 0.5782 0.6008 0.6204 0.7022 0.7182 0.9487 0.9789 1.0655 1.0696 1.2577 1.3185 1.3849 1.4886 1.5040 1.5321 1.7261 1.7884 1.7986 1.8686 2.1633 2.2494 2.4143 2.5000 2.5336 2.6646 2.7705 2.8366 3.0616 3.1025 3.3253 3.3876 3.4044 3.4387 3.6714 3.7270 3.7463 3.8639 6.4216 6.4815 8.0271 8.0859 8.2111 8.2520 8.4869 8.5893 8.7011 8.7330 9.4096 9.4778 k = 0.5000 0.3545 0.3356 ( 11390 PWs) bands (ev): -8.0726 -8.0703 -8.0622 -8.0599 -7.8857 -7.8813 -7.8761 -7.8745 -3.1385 -3.1245 -3.1122 -3.1087 -1.6116 -1.6006 -1.4864 -1.4403 -1.4312 -1.4084 -0.8168 -0.7987 0.3794 0.3897 0.4363 0.4543 0.5544 0.5827 0.6041 0.6261 0.7063 0.7194 0.9457 0.9764 1.0583 1.0615 1.2827 1.3337 1.3955 1.4945 1.5053 1.5365 1.7479 1.8001 1.8223 1.8791 2.1644 2.2575 2.4117 2.5013 2.5185 2.6565 2.7767 2.8207 3.0557 3.0953 3.3162 3.3825 3.3895 3.4334 3.6628 3.7227 3.7331 3.8548 6.4309 6.4894 8.0212 8.0857 8.2082 8.2424 8.4262 8.5235 8.6310 8.6637 9.3069 9.3782 k = 0.5000 0.3545 0.3116 ( 11392 PWs) bands (ev): -8.0774 -8.0751 -8.0674 -8.0653 -7.8802 -7.8759 -7.8715 -7.8699 -3.1381 -3.1245 -3.1129 -3.1097 -1.6121 -1.6001 -1.4879 -1.4417 -1.4343 -1.4110 -0.8234 -0.8042 0.3842 0.3952 0.4350 0.4549 0.5605 0.5878 0.6083 0.6319 0.7100 0.7207 0.9422 0.9733 1.0485 1.0539 1.3072 1.3491 1.4060 1.4998 1.5065 1.5400 1.7687 1.8122 1.8439 1.8902 2.1642 2.2655 2.4024 2.5002 2.5087 2.6442 2.7909 2.8134 3.0522 3.0927 3.3069 3.3734 3.3796 3.4293 3.6542 3.7125 3.7270 3.8462 6.4373 6.4938 8.0117 8.0811 8.2027 8.2344 8.3695 8.4624 8.5656 8.5989 9.2051 9.2787 k = 0.5000 0.3545 0.2876 ( 11394 PWs) bands (ev): -8.0821 -8.0797 -8.0724 -8.0706 -7.8748 -7.8707 -7.8671 -7.8655 -3.1375 -3.1244 -3.1135 -3.1107 -1.6124 -1.5994 -1.4894 -1.4433 -1.4371 -1.4137 -0.8302 -0.8101 0.3886 0.4000 0.4337 0.4545 0.5669 0.5934 0.6133 0.6376 0.7130 0.7226 0.9384 0.9695 1.0378 1.0458 1.3308 1.3646 1.4163 1.5045 1.5076 1.5430 1.7881 1.8243 1.8617 1.9035 2.1633 2.2724 2.3892 2.4958 2.5019 2.6289 2.8108 2.8155 3.0516 3.0938 3.2976 3.3583 3.3767 3.4266 3.6456 3.6980 3.7260 3.8381 6.4408 6.4951 7.9991 8.0724 8.1951 8.2274 8.3170 8.4063 8.5054 8.5389 9.1058 9.1808 k = 0.5000 0.3545 0.2637 ( 11406 PWs) bands (ev): -8.0865 -8.0842 -8.0772 -8.0755 -7.8697 -7.8658 -7.8628 -7.8613 -3.1369 -3.1243 -3.1142 -3.1117 -1.6125 -1.5985 -1.4906 -1.4451 -1.4396 -1.4164 -0.8369 -0.8164 0.3928 0.4040 0.4323 0.4531 0.5737 0.5993 0.6190 0.6430 0.7151 0.7254 0.9346 0.9653 1.0266 1.0369 1.3532 1.3797 1.4263 1.5085 1.5089 1.5455 1.8056 1.8359 1.8755 1.9200 2.1623 2.2768 2.3758 2.4891 2.4945 2.6116 2.8268 2.8348 3.0542 3.0975 3.2883 3.3428 3.3752 3.4253 3.6370 3.6828 3.7268 3.8306 6.4420 6.4936 7.9837 8.0598 8.1859 8.2199 8.2694 8.3556 8.4507 8.4835 9.0101 9.0858 k = 0.5000 0.3545 0.2397 ( 11402 PWs) bands (ev): -8.0907 -8.0884 -8.0816 -8.0801 -7.8649 -7.8611 -7.8587 -7.8573 -3.1361 -3.1242 -3.1148 -3.1127 -1.6123 -1.5975 -1.4916 -1.4472 -1.4418 -1.4192 -0.8435 -0.8230 0.3968 0.4073 0.4309 0.4509 0.5809 0.6054 0.6252 0.6480 0.7163 0.7287 0.9310 0.9605 1.0152 1.0275 1.3741 1.3945 1.4361 1.5094 1.5128 1.5476 1.8207 1.8461 1.8873 1.9387 2.1616 2.2772 2.3655 2.4789 2.4874 2.5928 2.8456 2.8615 3.0598 3.1032 3.2789 3.3272 3.3752 3.4257 3.6282 3.6672 3.7288 3.8239 6.4410 6.4897 7.9660 8.0434 8.1758 8.2093 8.2289 8.3103 8.4019 8.4328 8.9196 8.9950 k = 0.5000 0.3545 0.2157 ( 11408 PWs) bands (ev): -8.0946 -8.0924 -8.0857 -8.0845 -7.8603 -7.8568 -7.8549 -7.8536 -3.1352 -3.1241 -3.1154 -3.1137 -1.6119 -1.5966 -1.4923 -1.4495 -1.4436 -1.4220 -0.8497 -0.8296 0.4004 0.4100 0.4297 0.4482 0.5884 0.6115 0.6317 0.6525 0.7172 0.7323 0.9277 0.9555 1.0037 1.0175 1.3930 1.4088 1.4454 1.5098 1.5167 1.5495 1.8334 1.8542 1.8995 1.9576 2.1614 2.2725 2.3605 2.4657 2.4809 2.5730 2.8696 2.8899 3.0681 3.1100 3.2695 3.3115 3.3768 3.4277 3.6192 3.6513 3.7317 3.8178 6.4384 6.4838 7.9468 8.0238 8.1643 8.1846 8.2067 8.2708 8.3592 8.3868 8.8353 8.9095 k = 0.5000 0.3545 0.1918 ( 11392 PWs) bands (ev): -8.0981 -8.0960 -8.0894 -8.0884 -7.8561 -7.8529 -7.8514 -7.8501 -3.1342 -3.1239 -3.1160 -3.1147 -1.6112 -1.5958 -1.4926 -1.4520 -1.4452 -1.4249 -0.8555 -0.8363 0.4037 0.4120 0.4287 0.4451 0.5960 0.6175 0.6380 0.6565 0.7181 0.7359 0.9249 0.9503 0.9925 1.0074 1.4095 1.4227 1.4542 1.5099 1.5205 1.5515 1.8437 1.8601 1.9129 1.9756 2.1619 2.2637 2.3605 2.4514 2.4742 2.5527 2.8965 2.9190 3.0783 3.1173 3.2601 3.2957 3.3803 3.4315 3.6100 3.6351 3.7356 3.8123 6.4347 6.4764 7.9268 8.0015 8.1466 8.1597 8.1932 8.2372 8.3227 8.3457 8.7586 8.8303 k = 0.5000 0.3545 0.1678 ( 11388 PWs) bands (ev): -8.1013 -8.0994 -8.0928 -8.0919 -7.8523 -7.8494 -7.8481 -7.8470 -3.1332 -3.1237 -3.1166 -3.1157 -1.6102 -1.5952 -1.4925 -1.4546 -1.4463 -1.4278 -0.8606 -0.8427 0.4068 0.4136 0.4279 0.4418 0.6036 0.6234 0.6438 0.6597 0.7193 0.7392 0.9227 0.9452 0.9817 0.9971 1.4235 1.4358 1.4623 1.5095 1.5244 1.5535 1.8519 1.8647 1.9272 1.9916 2.1633 2.2527 2.3640 2.4374 2.4671 2.5323 2.9248 2.9479 3.0896 3.1247 3.2508 3.2800 3.3859 3.4371 3.6003 3.6184 3.7401 3.8074 6.4303 6.4680 7.9071 7.9772 8.1215 8.1451 8.1782 8.2100 8.2921 8.3095 8.6905 8.7584 k = 0.5000 0.3545 0.1438 ( 11384 PWs) bands (ev): -8.1041 -8.1024 -8.0957 -8.0950 -7.8489 -7.8465 -7.8451 -7.8443 -3.1320 -3.1235 -3.1171 -3.1167 -1.6091 -1.5948 -1.4918 -1.4575 -1.4471 -1.4306 -0.8651 -0.8489 0.4095 0.4148 0.4273 0.4384 0.6111 0.6290 0.6488 0.6621 0.7211 0.7421 0.9211 0.9404 0.9715 0.9869 1.4353 1.4476 1.4696 1.5084 1.5283 1.5555 1.8580 1.8685 1.9418 2.0050 2.1654 2.2412 2.3694 2.4247 2.4599 2.5121 2.9530 2.9759 3.1007 3.1318 3.2417 3.2643 3.3939 3.4445 3.5902 3.6013 3.7453 3.8030 6.4257 6.4590 7.8887 7.9523 8.0989 8.1312 8.1621 8.1889 8.2667 8.2782 8.6320 8.6946 k = 0.5000 0.3545 0.1199 ( 11392 PWs) bands (ev): -8.1064 -8.1050 -8.0982 -8.0977 -7.8459 -7.8440 -7.8425 -7.8419 -3.1309 -3.1234 -3.1177 -3.1176 -1.6077 -1.5948 -1.4907 -1.4606 -1.4475 -1.4333 -0.8688 -0.8546 0.4118 0.4158 0.4268 0.4351 0.6183 0.6342 0.6528 0.6637 0.7236 0.7444 0.9202 0.9362 0.9620 0.9770 1.4455 1.4575 1.4761 1.5068 1.5325 1.5575 1.8626 1.8718 1.9562 2.0152 2.1683 2.2303 2.3758 2.4144 2.4524 2.4924 2.9802 3.0023 3.1104 3.1382 3.2329 3.2490 3.4043 3.4536 3.5795 3.5837 3.7508 3.7989 6.4215 6.4500 7.8724 7.9280 8.0805 8.1158 8.1476 8.1721 8.2455 8.2519 8.5837 8.6392 k = 0.5000 0.3545 0.0959 ( 11394 PWs) bands (ev): -8.1084 -8.1072 -8.1003 -8.0998 -7.8435 -7.8420 -7.8403 -7.8399 -3.1297 -3.1233 -3.1185 -3.1182 -1.6062 -1.5952 -1.4889 -1.4638 -1.4476 -1.4360 -0.8716 -0.8598 0.4137 0.4168 0.4264 0.4321 0.6251 0.6388 0.6555 0.6645 0.7268 0.7459 0.9201 0.9329 0.9536 0.9678 1.4543 1.4651 1.4814 1.5046 1.5371 1.5590 1.8662 1.8744 1.9700 2.0220 2.1718 2.2204 2.3829 2.4071 2.4448 2.4734 3.0056 3.0267 3.1176 3.1437 3.2246 3.2345 3.4171 3.4640 3.5656 3.5684 3.7565 3.7950 6.4180 6.4413 7.8593 7.9053 8.0664 8.0996 8.1365 8.1580 8.2275 8.2310 8.5461 8.5928 k = 0.5000 0.3545 0.0719 ( 11392 PWs) bands (ev): -8.1099 -8.1090 -8.1019 -8.1016 -7.8415 -7.8404 -7.8386 -7.8383 -3.1285 -3.1233 -3.1192 -3.1186 -1.6046 -1.5958 -1.4867 -1.4672 -1.4472 -1.4384 -0.8734 -0.8643 0.4152 0.4178 0.4260 0.4294 0.6313 0.6427 0.6572 0.6645 0.7305 0.7464 0.9205 0.9307 0.9464 0.9593 1.4619 1.4707 1.4854 1.5019 1.5421 1.5598 1.8693 1.8762 1.9830 2.0251 2.1760 2.2117 2.3901 2.4035 2.4372 2.4557 3.0285 3.0481 3.1219 3.1475 3.2167 3.2220 3.4322 3.4756 3.5472 3.5565 3.7622 3.7911 6.4156 6.4334 7.8498 7.8852 8.0566 8.0841 8.1287 8.1461 8.2122 8.2155 8.5191 8.5555 k = 0.5000 0.3545 0.0479 ( 11412 PWs) bands (ev): -8.1109 -8.1103 -8.1030 -8.1028 -7.8400 -7.8394 -7.8373 -7.8372 -3.1274 -3.1237 -3.1196 -3.1191 -1.6029 -1.5969 -1.4841 -1.4707 -1.4466 -1.4406 -0.8743 -0.8681 0.4165 0.4187 0.4255 0.4272 0.6367 0.6452 0.6583 0.6637 0.7344 0.7459 0.9216 0.9295 0.9411 0.9518 1.4683 1.4745 1.4882 1.4988 1.5470 1.5595 1.8720 1.8769 1.9949 2.0246 2.1806 2.2039 2.3974 2.4039 2.4296 2.4396 3.0482 3.0650 3.1245 3.1478 3.2092 3.2131 3.4490 3.4874 3.5290 3.5441 3.7678 3.7870 6.4145 6.4266 7.8445 7.8686 8.0512 8.0707 8.1242 8.1365 8.2010 8.2041 8.5023 8.5272 k = 0.5000 0.3545 0.0240 ( 11456 PWs) bands (ev): -8.1115 -8.1112 -8.1037 -8.1036 -7.8391 -7.8388 -7.8366 -7.8365 -3.1262 -3.1243 -3.1198 -3.1194 -1.6012 -1.5981 -1.4810 -1.4743 -1.4456 -1.4426 -0.8742 -0.8711 0.4176 0.4190 0.4250 0.4257 0.6411 0.6458 0.6594 0.6624 0.7382 0.7442 0.9232 0.9280 0.9390 0.9455 1.4731 1.4763 1.4903 1.4955 1.5515 1.5580 1.8742 1.8768 2.0055 2.0208 2.1856 2.1971 2.4049 2.4082 2.4220 2.4256 3.0636 3.0742 3.1283 3.1433 3.2047 3.2076 3.4669 3.4954 3.5148 3.5314 3.7731 3.7827 6.4151 6.4211 7.8437 7.8559 8.0501 8.0602 8.1228 8.1292 8.1947 8.1966 8.4951 8.5077 k = 0.5000 0.3545-0.0000 ( 11464 PWs) bands (ev): -8.1116 -8.1116 -8.1039 -8.1039 -7.8387 -7.8387 -7.8363 -7.8363 -3.1252 -3.1252 -3.1197 -3.1197 -1.5996 -1.5996 -1.4777 -1.4777 -1.4442 -1.4442 -0.8731 -0.8731 0.4185 0.4185 0.4250 0.4250 0.6443 0.6443 0.6609 0.6609 0.7416 0.7416 0.9256 0.9256 0.9410 0.9410 1.4758 1.4758 1.4926 1.4926 1.5553 1.5553 1.8758 1.8758 2.0143 2.0143 2.1911 2.1911 2.4139 2.4139 2.4149 2.4149 3.0733 3.0733 3.1355 3.1355 3.2045 3.2045 3.4847 3.4847 3.5194 3.5194 3.7781 3.7781 6.4173 6.4173 7.8475 7.8475 8.0532 8.0532 8.1246 8.1246 8.1933 8.1933 8.4970 8.4970 k = 0.0000 0.0000 0.8645 ( 11420 PWs) bands (ev): -8.0102 -8.0102 -7.9862 -7.9862 -7.9492 -7.9492 -7.9350 -7.9350 -3.1240 -3.1240 -3.0960 -3.0960 -1.5733 -1.5733 -1.4452 -1.4452 -1.3737 -1.3737 -0.8171 -0.8171 0.2941 0.2941 0.3589 0.3589 0.4778 0.4778 0.6414 0.6414 0.7070 0.7070 0.8505 0.8505 0.9731 0.9731 1.1381 1.1381 1.2645 1.2645 1.4372 1.4372 1.4914 1.4914 1.7074 1.7074 2.0541 2.0541 2.5231 2.5231 2.6525 2.6525 3.2609 3.2609 3.4637 3.4637 3.5995 3.5995 3.7321 3.7321 3.8649 3.8649 3.9834 3.9834 6.0078 6.0078 7.6445 7.6445 8.0006 8.0006 9.6189 9.6189 9.7443 9.7443 10.0714 10.0714 k = 0.0192 0.0136 0.8645 ( 11426 PWs) bands (ev): -8.0103 -8.0101 -7.9863 -7.9861 -7.9493 -7.9492 -7.9350 -7.9349 -3.1242 -3.1237 -3.0961 -3.0960 -1.5735 -1.5733 -1.4454 -1.4450 -1.3744 -1.3732 -0.8175 -0.8164 0.2929 0.2954 0.3537 0.3641 0.4773 0.4782 0.6404 0.6419 0.7027 0.7111 0.8447 0.8574 0.9647 0.9817 1.1275 1.1479 1.2558 1.2735 1.4356 1.4386 1.4907 1.4924 1.7055 1.7082 2.0423 2.0581 2.5258 2.5271 2.6527 2.6618 3.2600 3.2612 3.4590 3.4643 3.5914 3.6070 3.7225 3.7412 3.8545 3.8733 3.9784 3.9855 6.0096 6.0110 7.6443 7.6476 7.9972 7.9980 9.6031 9.6325 9.7350 9.7544 10.0723 10.0733 k = 0.0385 0.0273 0.8645 ( 11414 PWs) bands (ev): -8.0103 -8.0100 -7.9864 -7.9860 -7.9493 -7.9492 -7.9350 -7.9349 -3.1244 -3.1235 -3.0961 -3.0960 -1.5736 -1.5732 -1.4456 -1.4447 -1.3751 -1.3729 -0.8175 -0.8154 0.2918 0.2967 0.3487 0.3695 0.4767 0.4785 0.6391 0.6418 0.6984 0.7151 0.8403 0.8654 0.9565 0.9904 1.1162 1.1564 1.2477 1.2825 1.4339 1.4398 1.4903 1.4938 1.7027 1.7080 2.0234 2.0543 2.5352 2.5377 2.6623 2.6798 3.2585 3.2606 3.4504 3.4607 3.5829 3.6139 3.7127 3.7496 3.8425 3.8799 3.9704 3.9847 6.0161 6.0190 7.6468 7.6536 7.9880 7.9893 9.5852 9.6417 9.7281 9.7647 10.0761 10.0779 k = 0.0577 0.0409 0.8645 ( 11414 PWs) bands (ev): -8.0104 -8.0099 -7.9865 -7.9859 -7.9494 -7.9492 -7.9351 -7.9348 -3.1246 -3.1233 -3.0962 -3.0960 -1.5737 -1.5732 -1.4457 -1.4443 -1.3760 -1.3727 -0.8172 -0.8140 0.2907 0.2979 0.3439 0.3749 0.4760 0.4786 0.6375 0.6410 0.6941 0.7189 0.8373 0.8739 0.9486 0.9992 1.1047 1.1630 1.2408 1.2914 1.4320 1.4409 1.4902 1.4955 1.6993 1.7067 1.9991 2.0439 2.5503 2.5543 2.6805 2.7052 3.2566 3.2588 3.4379 3.4530 3.5739 3.6201 3.7029 3.7571 3.8291 3.8847 3.9596 3.9813 6.0270 6.0313 7.6519 7.6624 7.9736 7.9753 9.5653 9.6428 9.7275 9.7756 10.0831 10.0856 k = 0.0769 0.0545 0.8645 ( 11398 PWs) bands (ev): -8.0105 -8.0098 -7.9866 -7.9858 -7.9494 -7.9491 -7.9351 -7.9348 -3.1248 -3.1231 -3.0962 -3.0959 -1.5739 -1.5731 -1.4457 -1.4440 -1.3770 -1.3727 -0.8165 -0.8123 0.2898 0.2991 0.3393 0.3804 0.4753 0.4785 0.6357 0.6395 0.6900 0.7226 0.8358 0.8829 0.9409 1.0081 1.0933 1.1670 1.2359 1.3001 1.4296 1.4418 1.4905 1.4976 1.6957 1.7044 1.9710 2.0287 2.5705 2.5762 2.7058 2.7362 3.2543 3.2555 3.4219 3.4413 3.5643 3.6254 3.6936 3.7636 3.8152 3.8880 3.9465 3.9757 6.0418 6.0474 7.6590 7.6735 7.9551 7.9566 9.5433 9.6334 9.7358 9.7873 10.0935 10.0965 k = 0.0962 0.0682 0.8645 ( 11390 PWs) bands (ev): -8.0105 -8.0097 -7.9866 -7.9857 -7.9495 -7.9491 -7.9352 -7.9347 -3.1250 -3.1229 -3.0962 -3.0959 -1.5740 -1.5731 -1.4457 -1.4435 -1.3781 -1.3728 -0.8156 -0.8105 0.2889 0.3001 0.3351 0.3860 0.4745 0.4782 0.6339 0.6373 0.6861 0.7262 0.8355 0.8919 0.9337 1.0170 1.0821 1.1677 1.2336 1.3086 1.4269 1.4424 1.4910 1.5000 1.6923 1.7013 1.9408 2.0107 2.5945 2.6027 2.7366 2.7710 3.2504 3.2512 3.4030 3.4263 3.5539 3.6295 3.6849 3.7684 3.8019 3.8903 3.9315 3.9683 6.0596 6.0665 7.6675 7.6864 7.9336 7.9343 9.5192 9.6158 9.7508 9.7997 10.1077 10.1107 k = 0.1154 0.0818 0.8645 ( 11396 PWs) bands (ev): -8.0106 -8.0096 -7.9867 -7.9856 -7.9496 -7.9491 -7.9352 -7.9347 -3.1252 -3.1227 -3.0963 -3.0959 -1.5742 -1.5732 -1.4457 -1.4431 -1.3792 -1.3729 -0.8146 -0.8086 0.2880 0.3010 0.3312 0.3916 0.4738 0.4776 0.6322 0.6346 0.6824 0.7297 0.8362 0.9006 0.9268 1.0259 1.0714 1.1650 1.2342 1.3167 1.4236 1.4427 1.4918 1.5028 1.6894 1.6975 1.9098 1.9914 2.6213 2.6332 2.7710 2.8076 3.2432 3.2468 3.3821 3.4085 3.5429 3.6320 3.6771 3.7699 3.7920 3.8917 3.9153 3.9597 6.0793 6.0874 7.6765 7.7006 7.9099 7.9109 9.4939 9.5937 9.7693 9.8127 10.1256 10.1279 k = 0.1346 0.0954 0.8645 ( 11396 PWs) bands (ev): -8.0106 -8.0096 -7.9868 -7.9856 -7.9496 -7.9491 -7.9352 -7.9347 -3.1253 -3.1225 -3.0963 -3.0959 -1.5743 -1.5732 -1.4456 -1.4427 -1.3802 -1.3732 -0.8134 -0.8067 0.2871 0.3016 0.3279 0.3971 0.4730 0.4768 0.6305 0.6315 0.6792 0.7330 0.8377 0.9089 0.9205 1.0347 1.0616 1.1599 1.2369 1.3246 1.4198 1.4427 1.4928 1.5058 1.6876 1.6934 1.8791 1.9725 2.6499 2.6669 2.8075 2.8441 3.2341 3.2399 3.3608 3.3886 3.5315 3.6325 3.6703 3.7651 3.7893 3.8928 3.8985 3.9505 6.1000 6.1092 7.6850 7.7152 7.8845 7.8885 9.4683 9.5698 9.7894 9.8260 10.1470 10.1473 k = 0.1538 0.1091 0.8645 ( 11392 PWs) bands (ev): -8.0106 -8.0095 -7.9868 -7.9855 -7.9497 -7.9491 -7.9353 -7.9346 -3.1254 -3.1223 -3.0963 -3.0959 -1.5745 -1.5732 -1.4456 -1.4423 -1.3812 -1.3734 -0.8123 -0.8049 0.2863 0.3021 0.3251 0.4025 0.4724 0.4758 0.6283 0.6290 0.6763 0.7363 0.8395 0.9148 0.9164 1.0433 1.0528 1.1532 1.2408 1.3321 1.4156 1.4423 1.4939 1.5090 1.6872 1.6891 1.8497 1.9549 2.6787 2.7029 2.8448 2.8779 3.2239 3.2288 3.3416 3.3673 3.5202 3.6306 3.6646 3.7574 3.7913 3.8819 3.8937 3.9412 6.1203 6.1305 7.6920 7.7296 7.8598 7.8683 9.4436 9.5461 9.8096 9.8389 10.1675 10.1713 k = 0.1731 0.1227 0.8645 ( 11392 PWs) bands (ev): -8.0106 -8.0094 -7.9869 -7.9854 -7.9497 -7.9491 -7.9353 -7.9346 -3.1255 -3.1222 -3.0964 -3.0959 -1.5746 -1.5732 -1.4455 -1.4419 -1.3821 -1.3737 -0.8112 -0.8033 0.2854 0.3025 0.3229 0.4074 0.4718 0.4746 0.6253 0.6277 0.6739 0.7393 0.8415 0.9098 0.9229 1.0453 1.0515 1.1459 1.2449 1.3392 1.4110 1.4418 1.4949 1.5121 1.6850 1.6886 1.8224 1.9396 2.7063 2.7403 2.8818 2.9059 3.2116 3.2149 3.3272 3.3447 3.5096 3.6265 3.6599 3.7511 3.7945 3.8662 3.8948 3.9323 6.1392 6.1502 7.6963 7.7428 7.8372 7.8519 9.4211 9.5243 9.8288 9.8509 10.1856 10.1977 k = 0.1923 0.1363 0.8645 ( 11388 PWs) bands (ev): -8.0106 -8.0093 -7.9869 -7.9854 -7.9498 -7.9492 -7.9353 -7.9346 -3.1256 -3.1221 -3.0964 -3.0959 -1.5747 -1.5732 -1.4454 -1.4416 -1.3829 -1.3739 -0.8103 -0.8019 0.2846 0.3027 0.3212 0.4117 0.4713 0.4733 0.6227 0.6266 0.6720 0.7418 0.8433 0.9058 0.9281 1.0393 1.0591 1.1387 1.2489 1.3457 1.4063 1.4412 1.4958 1.5149 1.6813 1.6920 1.7979 1.9271 2.7308 2.7777 2.9172 2.9246 3.1886 3.2103 3.3184 3.3211 3.5005 3.6208 3.6563 3.7471 3.7981 3.8520 3.8963 3.9241 6.1553 6.1671 7.6979 7.7540 7.8182 7.8403 9.4020 9.5057 9.8458 9.8613 10.1980 10.2247 k = 0.2115 0.1500 0.8645 ( 11390 PWs) bands (ev): -8.0107 -8.0093 -7.9869 -7.9854 -7.9498 -7.9492 -7.9353 -7.9346 -3.1257 -3.1220 -3.0964 -3.0959 -1.5748 -1.5733 -1.4454 -1.4413 -1.3834 -1.3741 -0.8096 -0.8009 0.2840 0.3028 0.3201 0.4152 0.4709 0.4722 0.6207 0.6259 0.6707 0.7438 0.8447 0.9028 0.9320 1.0349 1.0656 1.1324 1.2520 1.3513 1.4020 1.4405 1.4964 1.5172 1.6783 1.6971 1.7772 1.9179 2.7501 2.8130 2.9312 2.9495 3.1630 3.2136 3.2966 3.3141 3.4936 3.6151 3.6537 3.7450 3.8017 3.8402 3.8984 3.9169 6.1677 6.1800 7.6973 7.7623 7.8039 7.8333 9.3875 9.4916 9.8594 9.8694 10.2029 10.2500 k = 0.2308 0.1636 0.8645 ( 11378 PWs) bands (ev): -8.0107 -8.0093 -7.9870 -7.9853 -7.9498 -7.9492 -7.9353 -7.9346 -3.1257 -3.1220 -3.0964 -3.0959 -1.5748 -1.5733 -1.4453 -1.4412 -1.3838 -1.3743 -0.8091 -0.8002 0.2836 0.3028 0.3195 0.4174 0.4707 0.4714 0.6194 0.6254 0.6698 0.7451 0.8457 0.9010 0.9344 1.0322 1.0702 1.1278 1.2541 1.3552 1.3989 1.4401 1.4969 1.5187 1.6764 1.7026 1.7621 1.9123 2.7626 2.8422 2.9270 2.9746 3.1408 3.2257 3.2722 3.3123 3.4892 3.6109 3.6521 3.7443 3.8052 3.8315 3.9012 3.9109 6.1755 6.1881 7.6959 7.7671 7.7953 7.8299 9.3784 9.4827 9.8682 9.8745 10.2034 10.2695 k = 0.2500 0.1772 0.8645 ( 11376 PWs) bands (ev): -8.0107 -8.0093 -7.9870 -7.9853 -7.9498 -7.9492 -7.9353 -7.9346 -3.1257 -3.1220 -3.0964 -3.0958 -1.5749 -1.5733 -1.4453 -1.4411 -1.3839 -1.3743 -0.8090 -0.8000 0.2834 0.3029 0.3193 0.4182 0.4706 0.4711 0.6190 0.6252 0.6696 0.7455 0.8460 0.9004 0.9352 1.0313 1.0719 1.1261 1.2548 1.3567 1.3976 1.4400 1.4970 1.5192 1.6758 1.7054 1.7562 1.9104 2.7669 2.8553 2.9221 2.9848 3.1314 3.2388 3.2551 3.3119 3.4878 3.6093 3.6516 3.7441 3.8069 3.8279 3.9037 3.9074 6.1782 6.1909 7.6953 7.7685 7.7926 7.8289 9.3753 9.4797 9.8713 9.8762 10.2031 10.2771 Writing output data file Ag2HgI4.save init_run : 2.78s CPU 11.13s WALL ( 1 calls) electrons : 2105.41s CPU 2124.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.57s CPU 1.91s WALL ( 1 calls) Called by electrons: c_bands : 2105.37s CPU 2124.05s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.05s WALL ( 1 calls) v_h : 0.01s CPU 0.03s WALL ( 1 calls) v_xc : 0.07s CPU 0.68s WALL ( 1 calls) newd : 0.73s CPU 0.80s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.34s WALL ( 246 calls) cegterg : 2002.23s CPU 2017.58s WALL ( 685 calls) Called by sum_band: Called by *egterg: h_psi : 1062.77s CPU 1073.63s WALL ( 12184 calls) s_psi : 66.75s CPU 67.14s WALL ( 12184 calls) g_psi : 2.61s CPU 2.71s WALL ( 11253 calls) cdiaghg : 561.73s CPU 559.65s WALL ( 11499 calls) cegterg:over : 173.78s CPU 171.40s WALL ( 11253 calls) cegterg:upda : 70.60s CPU 73.88s WALL ( 11253 calls) cegterg:last : 55.08s CPU 55.78s WALL ( 2045 calls) Called by h_psi: h_psi:vloc : 904.35s CPU 912.33s WALL ( 12184 calls) h_psi:vnl : 156.62s CPU 158.51s WALL ( 12184 calls) add_vuspsi : 59.80s CPU 63.45s WALL ( 12184 calls) General routines calbec : 96.75s CPU 94.92s WALL ( 12184 calls) fft : 0.25s CPU 1.05s WALL ( 19 calls) ffts : 0.25s CPU 0.29s WALL ( 4 calls) fftw : 824.30s CPU 828.00s WALL ( 1810204 calls) interpolate : 0.32s CPU 0.41s WALL ( 4 calls) davcio : 0.03s CPU 3.20s WALL ( 492 calls) Parallel routines fft_scatter : 401.18s CPU 401.54s WALL ( 1810227 calls) PWSCF : 36m43.81s CPU 40m40.18s WALL This run was terminated on: 8:48:51 21Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=